PubChemLite - 108445-59-6 (C26H26N4O)

Structural Information

Molecular Formula

SMILES

CC1C(=NC2=C(C=C(C=C2C)C)C)N3C=NC=CC3=C4CC=C5C=CC=CC5=C4N1O

InChI

InChI=1S/C26H26N4O/c1-16-13-17(2)24(18(3)14-16)28-26-19(4)30(31)25-21-8-6-5-7-20(21)9-10-22(25)23-11-12-27-15-29(23)26/h5-9,11-15,19,31H,10H2,1-4H3

InChIKey

RUGLVDWUEBSJMA-UHFFFAOYSA-N

Compound name

10-hydroxy-9-methyl-N-(2,4,6-trimethylphenyl)-5,7,10-triazatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,11,13,15,17-heptaen-8-imine

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]+	411.21794	209.3
[M+Na]+	433.19988	219.8
[M-H]-	409.20338	216.7
[M+NH4]+	428.24448	219.0
[M+K]+	449.17382	215.8
[M+H-H2O]+	393.20792	198.2
[M+HCOO]-	455.20886	223.9
[M+CH3COO]-	469.22451	217.6
[M+Na-2H]-	431.18533	212.7
[M]+	410.21011	208.6
[M]-	410.21121	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.21794

209.3

[M+Na]+

433.19988

219.8

[M-H]-

409.20338

216.7

[M+NH4]+

428.24448

219.0

[M+K]+

449.17382

215.8

[M+H-H2O]+

393.20792

198.2

[M+HCOO]-

455.20886

223.9

[M+CH3COO]-

469.22451

217.6

[M+Na-2H]-

431.18533

212.7

[M]+

410.21011

208.6

[M]-

410.21121

208.6

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

108445-59-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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