CID 491029

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

Structural Information

Molecular Formula
C14H18FN5O2
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)NC(=O)OC)F
InChI
InChI=1S/C14H18FN5O2/c1-19-3-5-20(6-4-19)12-8-11-10(7-9(12)15)16-13(17-11)18-14(21)22-2/h7-8H,3-6H2,1-2H3,(H2,16,17,18,21)
InChIKey
VUWKZOFZNODIPA-UHFFFAOYSA-N
Compound name
methyl N-[6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.14444 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15172 171.0
[M+Na]+ 330.13366 179.2
[M-H]- 306.13716 171.2
[M+NH4]+ 325.17826 182.5
[M+K]+ 346.10760 174.0
[M+H-H2O]+ 290.14170 160.3
[M+HCOO]- 352.14264 185.8
[M+CH3COO]- 366.15829 180.2
[M+Na-2H]- 328.11911 172.8
[M]+ 307.14389 168.3
[M]- 307.14499 168.3
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

No patent data available for this compound.