CID 3061762

Brn 5612072

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
CCOC(=O)CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O3/c1-2-23-16(21)11-19-14-9-8-12(18)10-15(14)20(17(19)22)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
InChIKey
LNDHONINOHTXEV-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07712 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 173.6
[M+Na]+ 353.06634 185.5
[M-H]- 329.06984 179.6
[M+NH4]+ 348.11094 188.9
[M+K]+ 369.04028 179.4
[M+H-H2O]+ 313.07438 165.2
[M+HCOO]- 375.07532 191.5
[M+CH3COO]- 389.09097 206.7
[M+Na-2H]- 351.05179 176.7
[M]+ 330.07657 181.5
[M]- 330.07767 181.5
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.