CID 24840103

(5-chloro-2-(dimethylamino)phenyl)phenylmethanone (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C21H18ClN5O4
SMILES
CN(C)C1=C(C=C(C=C1)Cl)/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3
InChI
InChI=1S/C21H18ClN5O4/c1-25(2)19-11-8-15(22)12-17(19)21(14-6-4-3-5-7-14)24-23-18-10-9-16(26(28)29)13-20(18)27(30)31/h3-13,23H,1-2H3/b24-21+
InChIKey
NKFPWGMMPIVCDV-DARPEHSRSA-N
Compound name
N-[(E)-[[5-chloro-2-(dimethylamino)phenyl]-phenylmethylidene]amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.10474 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.11202 204.1
[M+Na]+ 462.09396 205.5
[M-H]- 438.09746 214.4
[M+NH4]+ 457.13856 211.1
[M+K]+ 478.06790 193.9
[M+H-H2O]+ 422.10200 202.1
[M+HCOO]- 484.10294 227.0
[M+CH3COO]- 498.11859 229.1
[M+Na-2H]- 460.07941 209.3
[M]+ 439.10419 203.3
[M]- 439.10529 203.3
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.