CID 17263357

2-{4-[(propylcarbamoyl)amino]phenyl}acetic acid

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCCNC(=O)NC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C12H16N2O3/c1-2-7-13-12(17)14-10-5-3-9(4-6-10)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKey
OEHONRFHRZZZLP-UHFFFAOYSA-N
Compound name
2-[4-(propylcarbamoylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.7
[M+Na]+ 259.10531 163.2
[M+NH4]+ 254.14991 160.4
[M+K]+ 275.07925 158.7
[M-H]- 235.10881 155.4
[M+Na-2H]- 257.09076 158.7
[M]+ 236.11554 155.6
[M]- 236.11664 155.6
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