CID 3007398

108664-32-0

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
CN1C2=CC=CC=C2N(C1=O)C(=C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2/c1-11(16(21)12-7-9-13(18)10-8-12)20-15-6-4-3-5-14(15)19(2)17(20)22/h3-10H,1H2,2H3
InChIKey
YOUHQJFZNCEPKX-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 169.0
[M+Na]+ 335.05578 181.1
[M-H]- 311.05928 175.1
[M+NH4]+ 330.10038 184.9
[M+K]+ 351.02972 174.2
[M+H-H2O]+ 295.06382 161.1
[M+HCOO]- 357.06476 185.9
[M+CH3COO]- 371.08041 181.4
[M+Na-2H]- 333.04123 171.0
[M]+ 312.06601 174.4
[M]- 312.06711 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.