CID 5279664

Schembl8285627

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCC(=O)N)C)C
InChI
InChI=1S/C19H23N5O2/c1-11-8-12(2)18-15(9-11)24(19(23-18)21-7-6-17(20)26)10-14-16(25)5-4-13(3)22-14/h4-5,8-9,25H,6-7,10H2,1-3H3,(H2,20,26)(H,21,23)
InChIKey
PTOMEDROUSUYOF-UHFFFAOYSA-N
Compound name
3-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.18518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 187.2
[M+Na]+ 376.17440 196.7
[M-H]- 352.17790 190.7
[M+NH4]+ 371.21900 198.2
[M+K]+ 392.14834 190.5
[M+H-H2O]+ 336.18244 177.7
[M+HCOO]- 398.18338 207.2
[M+CH3COO]- 412.19903 221.0
[M+Na-2H]- 374.15985 188.2
[M]+ 353.18463 190.3
[M]- 353.18573 190.3
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