CID 129318574

Flubendazole ep impurity e

Structural Information

Molecular Formula
C16H12FN3O3
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3F
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-6-9(8-13(12)19-15)14(21)10-4-2-3-5-11(10)17/h2-8H,1H3,(H2,18,19,20,22)
InChIKey
QTHXIRKBRCLTPI-UHFFFAOYSA-N
Compound name
methyl N-[6-(2-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.08627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.093546 168.4
[M+Na]+ 336.075488 177.6
[M-H]- 312.078994 171.9
[M+NH4]+ 331.120093 182.0
[M+K]+ 352.049428 172.5
[M+H-H2O]+ 296.083530 158.9
[M+HCOO]- 358.084471 188.9
[M+CH3COO]- 372.100121 204.4
[M+Na-2H]- 334.060936 172.0
[M]+ 313.08572142 169.3
[M]- 313.08681858 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

patents stripe