CID 5279694

4-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazol-2-yl]amino]butanamide

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCC(=O)N
InChI
InChI=1S/C18H21N5O2/c1-12-8-9-16(24)14(21-12)11-23-15-6-3-2-5-13(15)22-18(23)20-10-4-7-17(19)25/h2-3,5-6,8-9,24H,4,7,10-11H2,1H3,(H2,19,25)(H,20,22)
InChIKey
QJMVKRUONNXDGS-UHFFFAOYSA-N
Compound name
4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]benzimidazol-2-yl]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16953 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 180.3
[M+Na]+ 362.15875 188.5
[M-H]- 338.16225 183.2
[M+NH4]+ 357.20335 191.3
[M+K]+ 378.13269 182.4
[M+H-H2O]+ 322.16679 170.4
[M+HCOO]- 384.16773 200.8
[M+CH3COO]- 398.18338 215.4
[M+Na-2H]- 360.14420 183.6
[M]+ 339.16898 182.2
[M]- 339.17008 182.2
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.