CID 51060998

881664-14-8

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H17N3O4/c1-13-6-8-14(9-7-13)20(26)21-11-18(24)23-22-10-15-12-27-17-5-3-2-4-16(17)19(15)25/h2-10,12H,11H2,1H3,(H,21,26)(H,23,24)/b22-10+
InChIKey
ROVGYTNSQIXORF-LSHDLFTRSA-N
Compound name
4-methyl-N-[2-oxo-2-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.129196 184.9
[M+Na]+ 386.111138 191.1
[M-H]- 362.114644 194.5
[M+NH4]+ 381.155743 196.3
[M+K]+ 402.085078 188.6
[M+H-H2O]+ 346.119180 174.9
[M+HCOO]- 408.120121 210.0
[M+CH3COO]- 422.135771 224.5
[M+Na-2H]- 384.096586 191.0
[M]+ 363.12137142 187.7
[M]- 363.12246858 187.7
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.