CID 49768288

2-[(4-butoxycarbonyl-3-hydroxy-phenyl)carbamoyl]benzoic acid

Structural Information

Molecular Formula
C19H19NO6
SMILES
CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C19H19NO6/c1-2-3-10-26-19(25)15-9-8-12(11-16(15)21)20-17(22)13-6-4-5-7-14(13)18(23)24/h4-9,11,21H,2-3,10H2,1H3,(H,20,22)(H,23,24)
InChIKey
BJTUJHBCKMVVKW-UHFFFAOYSA-N
Compound name
2-[(4-butoxycarbonyl-3-hydroxyphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 181.8
[M+Na]+ 380.11047 186.5
[M-H]- 356.11397 185.7
[M+NH4]+ 375.15507 192.3
[M+K]+ 396.08441 183.8
[M+H-H2O]+ 340.11851 173.5
[M+HCOO]- 402.11945 201.2
[M+CH3COO]- 416.13510 212.7
[M+Na-2H]- 378.09592 181.3
[M]+ 357.12070 183.8
[M]- 357.12180 183.8
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.