CID 16794869

954581-24-9

Structural Information

Molecular Formula
C14H17BrN2O3
SMILES
C1CCC(C1)(C(=O)O)NC(=O)NCC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H17BrN2O3/c15-11-5-3-4-10(8-11)9-16-13(20)17-14(12(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,18,19)(H2,16,17,20)
InChIKey
SZPRVIXVJJYTMS-UHFFFAOYSA-N
Compound name
1-[(3-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.04224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04952 174.7
[M+Na]+ 363.03146 172.9
[M+NH4]+ 358.07606 178.5
[M+K]+ 379.00540 174.1
[M-H]- 339.03496 175.1
[M+Na-2H]- 361.01691 176.6
[M]+ 340.04169 173.0
[M]- 340.04279 173.0
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.