CID 129318575

132119-20-1

Structural Information

Molecular Formula
C17H14FN3O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)F)N=C1NC(=O)OC
InChI
InChI=1S/C17H14FN3O3/c1-21-14-8-5-11(15(22)10-3-6-12(18)7-4-10)9-13(14)19-16(21)20-17(23)24-2/h3-9H,1-2H3,(H,19,20,23)
InChIKey
NNLLDAJLQCHALY-UHFFFAOYSA-N
Compound name
methyl N-[5-(4-fluorobenzoyl)-1-methylbenzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10193 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10921 173.4
[M+Na]+ 350.09115 183.4
[M-H]- 326.09465 178.5
[M+NH4]+ 345.13575 187.4
[M+K]+ 366.06509 179.0
[M+H-H2O]+ 310.09919 163.6
[M+HCOO]- 372.10013 195.0
[M+CH3COO]- 386.11578 211.0
[M+Na-2H]- 348.07660 176.1
[M]+ 327.10138 176.8
[M]- 327.10248 176.8
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.