CID 507393

Isopropyl 2-(2-fluorophenyl)-4-methoxy-benzimidazole-1-carboxylate

Structural Information

Molecular Formula
C18H17FN2O3
SMILES
CC(C)OC(=O)N1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C18H17FN2O3/c1-11(2)24-18(22)21-14-9-6-10-15(23-3)16(14)20-17(21)12-7-4-5-8-13(12)19/h4-11H,1-3H3
InChIKey
ZDPGECMUPDUJBR-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(2-fluorophenyl)-4-methoxybenzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1223 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12958 175.4
[M+Na]+ 351.11152 185.6
[M-H]- 327.11502 180.2
[M+NH4]+ 346.15612 189.8
[M+K]+ 367.08546 181.5
[M+H-H2O]+ 311.11956 165.7
[M+HCOO]- 373.12050 195.4
[M+CH3COO]- 387.13615 209.6
[M+Na-2H]- 349.09697 176.8
[M]+ 328.12175 180.5
[M]- 328.12285 180.5
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.