CID 9639193

1-(2-(((3-methylbenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C30H27N3O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CNC(=O)C4=CC=CC(=C4)C
InChI
InChI=1S/C30H27N3O5/c1-3-37-24-14-11-22(12-15-24)30(36)38-27-16-13-21-8-4-5-10-25(21)26(27)18-32-33-28(34)19-31-29(35)23-9-6-7-20(2)17-23/h4-18H,3,19H2,1-2H3,(H,31,35)(H,33,34)/b32-18+
InChIKey
QLQRWPUYAJWMSG-KCSSXMTESA-N
Compound name
[1-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.19507 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.20235 223.8
[M+Na]+ 532.18429 226.3
[M-H]- 508.18779 234.4
[M+NH4]+ 527.22889 229.5
[M+K]+ 548.15823 222.6
[M+H-H2O]+ 492.19233 211.2
[M+HCOO]- 554.19327 246.2
[M+CH3COO]- 568.20892 253.2
[M+Na-2H]- 530.16974 225.2
[M]+ 509.19452 227.3
[M]- 509.19562 227.3
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.