CID 3021479

Brn 5052807

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC(C)N1C2=CC=CC=C2N(C1=O)C3=CC=CC=N3
InChI
InChI=1S/C15H15N3O/c1-11(2)17-12-7-3-4-8-13(12)18(15(17)19)14-9-5-6-10-16-14/h3-11H,1-2H3
InChIKey
LUOAQZKZINRMNH-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-pyridin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 157.2
[M+Na]+ 276.11072 168.5
[M-H]- 252.11422 161.9
[M+NH4]+ 271.15532 173.3
[M+K]+ 292.08466 163.3
[M+H-H2O]+ 236.11876 148.0
[M+HCOO]- 298.11970 178.5
[M+CH3COO]- 312.13535 169.9
[M+Na-2H]- 274.09617 162.4
[M]+ 253.12095 160.3
[M]- 253.12205 160.3
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

No patent data available for this compound.