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-methyl-2-pyridinyl)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]+ 340.176806 180.3
[M+Na]+ 362.158748 188.5
[M-H]- 338.162254 183.2
[M+NH4]+ 357.203353 191.3
[M+K]+ 378.132688 182.4
[M+H-H2O]+ 322.166790 170.4
[M+HCOO]- 384.167731 200.8
[M+CH3COO]- 398.183381 215.4
[M+Na-2H]- 360.144196 183.6
[M]+ 339.16898142 182.2
[M]- 339.17007858 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.