CID 482474

Isonicotinic acid hydrazide deriv

Structural Information

Molecular Formula
C16H16N4O4
SMILES
C1=CC=C(C=C1)N(CC(=O)NNC(=O)C2=CC=NC=C2)CC(=O)O
InChI
InChI=1S/C16H16N4O4/c21-14(18-19-16(24)12-6-8-17-9-7-12)10-20(11-15(22)23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21)(H,19,24)(H,22,23)
InChIKey
POTXCZHGLRMQAM-UHFFFAOYSA-N
Compound name
2-(N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]anilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.11716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12444 173.6
[M+Na]+ 351.10638 175.9
[M-H]- 327.10988 178.3
[M+NH4]+ 346.15098 183.8
[M+K]+ 367.08032 174.5
[M+H-H2O]+ 311.11442 163.5
[M+HCOO]- 373.11536 196.5
[M+CH3COO]- 387.13101 213.6
[M+Na-2H]- 349.09183 177.6
[M]+ 328.11661 172.5
[M]- 328.11771 172.5
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.