PubChemLite - Guanylhydrazone #12 (s-12) (C15H24N12)

Structural Information

Molecular Formula

SMILES

C/C(=N\N=C(N)N)/C1=CC(=CC(=C1)/C(=N\N=C(N)N)/C)/C(=N/N=C(N)N)/C

InChI

InChI=1S/C15H24N12/c1-7(22-25-13(16)17)10-4-11(8(2)23-26-14(18)19)6-12(5-10)9(3)24-27-15(20)21/h4-6H,1-3H3,(H4,16,17,25)(H4,18,19,26)(H4,20,21,27)/b22-7-,23-8+,24-9+

InChIKey

WOPZMKMWQXUQAJ-GCFJODRQSA-N

Compound name

2-[(Z)-1-[3,5-bis[(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]+	373.23198	190.0
[M+Na]+	395.21392	190.3
[M-H]-	371.21742	198.7
[M+NH4]+	390.25852	200.3
[M+K]+	411.18786	193.5
[M+H-H2O]+	355.22196	177.8
[M+HCOO]-	417.22290	223.1
[M+CH3COO]-	431.23855	261.5
[M+Na-2H]-	393.19937	187.5
[M]+	372.22415	181.2
[M]-	372.22525	181.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.23198

190.0

[M+Na]+

395.21392

190.3

[M-H]-

371.21742

198.7

[M+NH4]+

390.25852

200.3

[M+K]+

411.18786

193.5

[M+H-H2O]+

355.22196

177.8

[M+HCOO]-

417.22290

223.1

[M+CH3COO]-

431.23855

261.5

[M+Na-2H]-

393.19937

187.5

[M]+

372.22415

181.2

[M]-

372.22525

181.2

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

Guanylhydrazone #12 (s-12)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe