CID 5388180

Nsc632950

Structural Information

Molecular Formula
C23H18ClN5O5
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NNC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18ClN5O5/c24-17-9-11-18(12-10-17)25-23(32)28-27-22(31)20(26-21(30)16-6-2-1-3-7-16)14-15-5-4-8-19(13-15)29(33)34/h1-14H,(H,26,30)(H,27,31)(H2,25,28,32)/b20-14-
InChIKey
WQOFKOQXKBPZJP-ZHZULCJRSA-N
Compound name
N-[(Z)-3-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.09964 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.10692 208.3
[M+Na]+ 502.08886 208.1
[M-H]- 478.09236 216.5
[M+NH4]+ 497.13346 212.9
[M+K]+ 518.06280 199.9
[M+H-H2O]+ 462.09690 202.5
[M+HCOO]- 524.09784 228.4
[M+CH3COO]- 538.11349 234.3
[M+Na-2H]- 500.07431 211.7
[M]+ 479.09909 205.6
[M]- 479.10019 205.6
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.