CID 5275967

Benzoic acid inhibitor 7

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC(CC)NC1=C(C=CC(=C1)C(=O)O)NC(=O)C
InChI
InChI=1S/C14H20N2O3/c1-4-11(5-2)16-13-8-10(14(18)19)6-7-12(13)15-9(3)17/h6-8,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKey
QWGXCMBQVNXFFZ-UHFFFAOYSA-N
Compound name
4-acetamido-3-(pentan-3-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.9
[M+Na]+ 287.13662 167.5
[M-H]- 263.14012 165.0
[M+NH4]+ 282.18122 178.2
[M+K]+ 303.11056 165.5
[M+H-H2O]+ 247.14466 156.0
[M+HCOO]- 309.14560 184.3
[M+CH3COO]- 323.16125 202.7
[M+Na-2H]- 285.12207 163.3
[M]+ 264.14685 162.8
[M]- 264.14795 162.8
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.