CID 5279691

1-[3-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazol-2-yl]amino]propyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCN4CCCC4=O
InChI
InChI=1S/C21H25N5O2/c1-15-9-10-19(27)17(23-15)14-26-18-7-3-2-6-16(18)24-21(26)22-11-5-13-25-12-4-8-20(25)28/h2-3,6-7,9-10,27H,4-5,8,11-14H2,1H3,(H,22,24)
InChIKey
BVZQUGCCVPQOEW-UHFFFAOYSA-N
Compound name
1-[3-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]benzimidazol-2-yl]amino]propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.20084 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20812 191.1
[M+Na]+ 402.19006 198.9
[M-H]- 378.19356 196.2
[M+NH4]+ 397.23466 201.2
[M+K]+ 418.16400 192.0
[M+H-H2O]+ 362.19810 180.2
[M+HCOO]- 424.19904 209.0
[M+CH3COO]- 438.21469 199.9
[M+Na-2H]- 400.17551 190.6
[M]+ 379.20029 192.6
[M]- 379.20139 192.6
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.