CID 51060843

Methyl 4-(2-(((4-methylbenzoyl)amino)acetyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C19H19N3O4/c1-13-3-7-15(8-4-13)18(24)20-12-17(23)22-21-11-14-5-9-16(10-6-14)19(25)26-2/h3-11H,12H2,1-2H3,(H,20,24)(H,22,23)/b21-11+
InChIKey
IKGVWGXMSLHMGF-SRZZPIQSSA-N
Compound name
methyl 4-[(E)-[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.144816 183.4
[M+Na]+ 376.126758 187.4
[M-H]- 352.130264 191.1
[M+NH4]+ 371.171363 195.4
[M+K]+ 392.100698 185.2
[M+H-H2O]+ 336.134800 173.7
[M+HCOO]- 398.135741 209.2
[M+CH3COO]- 412.151391 222.2
[M+Na-2H]- 374.112206 185.5
[M]+ 353.13699142 185.3
[M]- 353.13808858 185.3
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.