CID 9631911

2-(2-((1-naphthoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H20ClN3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)N/N=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H20ClN3O4/c28-21-14-12-19(13-15-21)27(34)35-24-11-4-2-7-20(24)16-30-31-25(32)17-29-26(33)23-10-5-8-18-6-1-3-9-22(18)23/h1-16H,17H2,(H,29,33)(H,31,32)/b30-16+
InChIKey
KVTUQNFDJWIMRZ-OKCVXOCRSA-N
Compound name
[2-[(E)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.11423 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.12151 214.5
[M+Na]+ 508.10345 218.8
[M-H]- 484.10695 225.2
[M+NH4]+ 503.14805 222.1
[M+K]+ 524.07739 213.2
[M+H-H2O]+ 468.11149 203.5
[M+HCOO]- 530.11243 233.6
[M+CH3COO]- 544.12808 244.4
[M+Na-2H]- 506.08890 217.5
[M]+ 485.11368 218.3
[M]- 485.11478 218.3
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.