CID 491031

Carbamic acid, [5-fluoro-6-(4-methyl-1-piperidinyl)-1h-benzimidazol-2-yl]-, methyl ester

Structural Information

Molecular Formula
C15H19FN4O2
SMILES
CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)NC(=O)OC)F
InChI
InChI=1S/C15H19FN4O2/c1-9-3-5-20(6-4-9)13-8-12-11(7-10(13)16)17-14(18-12)19-15(21)22-2/h7-9H,3-6H2,1-2H3,(H2,17,18,19,21)
InChIKey
KGKOWOFWODGVSV-UHFFFAOYSA-N
Compound name
methyl N-[6-fluoro-5-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.1492 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15648 170.6
[M+Na]+ 329.13842 178.4
[M-H]- 305.14192 172.0
[M+NH4]+ 324.18302 183.6
[M+K]+ 345.11236 173.3
[M+H-H2O]+ 289.14646 160.6
[M+HCOO]- 351.14740 186.4
[M+CH3COO]- 365.16305 204.2
[M+Na-2H]- 327.12387 172.0
[M]+ 306.14865 167.8
[M]- 306.14975 167.8
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.