CID 5279700

Schembl8287092

Structural Information

Molecular Formula
C20H25N5O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCNCC3)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C20H25N5O/c1-13-4-3-5-17-19(13)24-20(23-15-8-10-21-11-9-15)25(17)12-16-18(26)7-6-14(2)22-16/h3-7,15,21,26H,8-12H2,1-2H3,(H,23,24)
InChIKey
HDNDDUNUUNEVRM-UHFFFAOYSA-N
Compound name
6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

351.2059 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 186.6
[M+Na]+ 374.19512 193.8
[M-H]- 350.19862 189.6
[M+NH4]+ 369.23972 195.3
[M+K]+ 390.16906 185.6
[M+H-H2O]+ 334.20316 175.4
[M+HCOO]- 396.20410 200.6
[M+CH3COO]- 410.21975 194.4
[M+Na-2H]- 372.18057 188.0
[M]+ 351.20535 183.0
[M]- 351.20645 183.0
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

patents stripe