CID 9630653

4-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)-2-meo-ph 4-methylbenzoate

Structural Information

Molecular Formula
C30H25ClN2O5
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C30H25ClN2O5/c1-20-7-12-23(13-8-20)30(35)38-27-16-11-22(17-28(27)36-2)18-32-33-29(34)25-5-3-4-6-26(25)37-19-21-9-14-24(31)15-10-21/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
InChIKey
WCVUXUUWMOOJPI-KCSSXMTESA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1452 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.15248 229.3
[M+Na]+ 551.13442 234.5
[M-H]- 527.13792 242.5
[M+NH4]+ 546.17902 234.6
[M+K]+ 567.10836 229.2
[M+H-H2O]+ 511.14246 216.6
[M+HCOO]- 573.14340 248.6
[M+CH3COO]- 587.15905 251.0
[M+Na-2H]- 549.11987 228.8
[M]+ 528.14465 236.6
[M]- 528.14575 236.6
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.