CID 5279665

Schembl4280686

Structural Information

Molecular Formula
C23H25N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4=CC=C(C=C4)CN)C)C
InChI
InChI=1S/C23H25N5O/c1-14-10-15(2)22-20(11-14)28(13-19-21(29)9-4-16(3)25-19)23(27-22)26-18-7-5-17(12-24)6-8-18/h4-11,29H,12-13,24H2,1-3H3,(H,26,27)
InChIKey
FDBAZCQQUKOEQG-UHFFFAOYSA-N
Compound name
2-[[2-[4-(aminomethyl)anilino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

387.2059 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21318 197.8
[M+Na]+ 410.19512 208.0
[M-H]- 386.19862 204.6
[M+NH4]+ 405.23972 207.4
[M+K]+ 426.16906 199.6
[M+H-H2O]+ 370.20316 187.0
[M+HCOO]- 432.20410 218.3
[M+CH3COO]- 446.21975 207.2
[M+Na-2H]- 408.18057 199.4
[M]+ 387.20535 200.1
[M]- 387.20645 200.1
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.