CID 28737764

2-hydroxy-5-{[(propan-2-yl)carbamoyl]amino}benzoic acid

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC(C)NC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C11H14N2O4/c1-6(2)12-11(17)13-7-3-4-9(14)8(5-7)10(15)16/h3-6,14H,1-2H3,(H,15,16)(H2,12,13,17)
InChIKey
BPBFQUIEYLITPP-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(propan-2-ylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 152.4
[M+Na]+ 261.084568 157.8
[M-H]- 237.088074 153.7
[M+NH4]+ 256.129173 168.0
[M+K]+ 277.058508 156.4
[M+H-H2O]+ 221.092610 146.0
[M+HCOO]- 283.093551 173.6
[M+CH3COO]- 297.109201 193.0
[M+Na-2H]- 259.070016 154.0
[M]+ 238.09480142 150.8
[M]- 238.09589858 150.8
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.