CID 5279670

2-[[2-(4-aminoanilino)-4,6-dimethyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C22H23N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4=CC=C(C=C4)N)C)C
InChI
InChI=1S/C22H23N5O/c1-13-10-14(2)21-19(11-13)27(12-18-20(28)9-4-15(3)24-18)22(26-21)25-17-7-5-16(23)6-8-17/h4-11,28H,12,23H2,1-3H3,(H,25,26)
InChIKey
LNJPAWPUMCJONU-UHFFFAOYSA-N
Compound name
2-[[2-(4-aminoanilino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.19025 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19753 193.6
[M+Na]+ 396.17947 204.2
[M-H]- 372.18297 200.5
[M+NH4]+ 391.22407 203.7
[M+K]+ 412.15341 196.0
[M+H-H2O]+ 356.18751 182.9
[M+HCOO]- 418.18845 214.3
[M+CH3COO]- 432.20410 203.4
[M+Na-2H]- 394.16492 195.6
[M]+ 373.18970 195.5
[M]- 373.19080 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.