CID 3021483

Brn 5073200

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
CC(C)N1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=N3
InChI
InChI=1S/C15H14ClN3O/c1-10(2)18-12-7-6-11(16)9-13(12)19(15(18)20)14-5-3-4-8-17-14/h3-10H,1-2H3
InChIKey
YKKVBYCZVHGUOO-UHFFFAOYSA-N
Compound name
5-chloro-1-propan-2-yl-3-pyridin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.089826 163.7
[M+Na]+ 310.071768 176.5
[M-H]- 286.075274 168.4
[M+NH4]+ 305.116373 179.5
[M+K]+ 326.045708 169.9
[M+H-H2O]+ 270.079810 154.8
[M+HCOO]- 332.080751 180.2
[M+CH3COO]- 346.096401 176.3
[M+Na-2H]- 308.057216 167.6
[M]+ 287.08200142 169.3
[M]- 287.08309858 169.3
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.