CID 24840104

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

Structural Information

Molecular Formula
C20H16ClN5O4
SMILES
CNC1=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/C20H16ClN5O4/c1-22-17-9-7-14(21)11-16(17)20(13-5-3-2-4-6-13)24-23-18-10-8-15(25(27)28)12-19(18)26(29)30/h2-12,22-23H,1H3/b24-20-
InChIKey
LPZUPIBKXKHVTQ-GFMRDNFCSA-N
Compound name
N-[(Z)-[[5-chloro-2-(methylamino)phenyl]-phenylmethylidene]amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.08908 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.09636 198.6
[M+Na]+ 448.07830 200.3
[M-H]- 424.08180 207.8
[M+NH4]+ 443.12290 205.5
[M+K]+ 464.05224 187.5
[M+H-H2O]+ 408.08634 197.0
[M+HCOO]- 470.08728 221.3
[M+CH3COO]- 484.10293 223.2
[M+Na-2H]- 446.06375 205.1
[M]+ 425.08853 196.4
[M]- 425.08963 196.4
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.