CID 832790

2-({2-[(4-methylphenoxy)acetyl]hydrazino}carbonyl)benzoic acid

Structural Information

Molecular Formula
C17H16N2O5
SMILES
CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H16N2O5/c1-11-6-8-12(9-7-11)24-10-15(20)18-19-16(21)13-4-2-3-5-14(13)17(22)23/h2-9H,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKey
QMIVENRLKSJMPV-UHFFFAOYSA-N
Compound name
2-[[[2-(4-methylphenoxy)acetyl]amino]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 174.3
[M+Na]+ 351.09515 178.7
[M-H]- 327.09865 179.5
[M+NH4]+ 346.13975 186.2
[M+K]+ 367.06909 176.5
[M+H-H2O]+ 311.10319 165.6
[M+HCOO]- 373.10413 196.7
[M+CH3COO]- 387.11978 210.1
[M+Na-2H]- 349.08060 176.2
[M]+ 328.10538 174.7
[M]- 328.10648 174.7
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.