CID 9631547

769152-71-8

Structural Information

Molecular Formula
C31H23N3O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H23N3O4/c1-20-8-6-12-23(18-20)31(37)38-28-17-16-22-10-2-4-13-24(22)26(28)19-32-34-30(36)29(35)33-27-15-7-11-21-9-3-5-14-25(21)27/h2-19H,1H3,(H,33,35)(H,34,36)/b32-19+
InChIKey
UPSPHHRXRLCHHT-BIZUNTBRSA-N
Compound name
[1-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.16885 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.17613 220.3
[M+Na]+ 524.15807 224.6
[M-H]- 500.16157 232.0
[M+NH4]+ 519.20267 227.0
[M+K]+ 540.13201 219.5
[M+H-H2O]+ 484.16611 207.4
[M+HCOO]- 546.16705 242.8
[M+CH3COO]- 560.18270 227.6
[M+Na-2H]- 522.14352 225.0
[M]+ 501.16830 222.5
[M]- 501.16940 222.5
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.