CID 6264099

(2-amino-5-chlorophenyl)phenylmethanone (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C19H14ClN5O4
SMILES
C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C19H14ClN5O4/c20-13-6-8-16(21)15(10-13)19(12-4-2-1-3-5-12)23-22-17-9-7-14(24(26)27)11-18(17)25(28)29/h1-11,22H,21H2/b23-19-
InChIKey
IKFKMOZDDMYTEM-NMWGTECJSA-N
Compound name
N-[(Z)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.07343 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.08071 194.2
[M+Na]+ 434.06265 196.3
[M-H]- 410.06615 203.1
[M+NH4]+ 429.10725 201.5
[M+K]+ 450.03659 183.5
[M+H-H2O]+ 394.07069 192.9
[M+HCOO]- 456.07163 216.7
[M+CH3COO]- 470.08728 219.7
[M+Na-2H]- 432.04810 200.3
[M]+ 411.07288 190.8
[M]- 411.07398 190.8
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.