PubChemLite - H-2194 (C18H26N12)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC2=CC(=CC(=C2)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)N=C(N1C)N

InChI

InChI=1S/C18H26N12/c1-9-5-15(25-18(23)30(9)4)24-14-7-12(10(2)26-28-16(19)20)6-13(8-14)11(3)27-29-17(21)22/h5-8H,1-4H3,(H4,19,20,28)(H4,21,22,29)(H2,23,24,25)/b26-10+,27-11+

InChIKey

DVZQTFDCMYVDPE-XCHCQHLDSA-N

Compound name

2-[(E)-1-[3-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	411.24761	202.5
[M+Na]+	433.22955	206.7
[M-H]-	409.23305	212.3
[M+NH4]+	428.27415	210.0
[M+K]+	449.20349	205.7
[M+H-H2O]+	393.23759	190.0
[M+HCOO]-	455.23853	233.5
[M+CH3COO]-	469.25418	263.0
[M+Na-2H]-	431.21500	202.9
[M]+	410.23978	197.5
[M]-	410.24088	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.24761

202.5

[M+Na]+

433.22955

206.7

[M-H]-

409.23305

212.3

[M+NH4]+

428.27415

210.0

[M+K]+

449.20349

205.7

[M+H-H2O]+

393.23759

190.0

[M+HCOO]-

455.23853

233.5

[M+CH3COO]-

469.25418

263.0

[M+Na-2H]-

431.21500

202.9

[M]+

410.23978

197.5

[M]-

410.24088

197.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

H-2194

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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