CID 9570982

2-chloro-n-(4-chloro-2-(((2,4-dinitrophenyl)hydrazono)phenylmethyl)phenyl)acetamide

Structural Information

Molecular Formula
C21H15Cl2N5O5
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)NC(=O)CCl
InChI
InChI=1S/C21H15Cl2N5O5/c22-12-20(29)24-17-8-6-14(23)10-16(17)21(13-4-2-1-3-5-13)26-25-18-9-7-15(27(30)31)11-19(18)28(32)33/h1-11,25H,12H2,(H,24,29)/b26-21-
InChIKey
WAKROMIMASSFRQ-QLYXXIJNSA-N
Compound name
2-chloro-N-[4-chloro-2-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.045 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.05228 213.5
[M+Na]+ 510.03422 214.2
[M-H]- 486.03772 221.4
[M+NH4]+ 505.07882 218.2
[M+K]+ 526.00816 201.7
[M+H-H2O]+ 470.04226 212.7
[M+HCOO]- 532.04320 230.3
[M+CH3COO]- 546.05885 230.7
[M+Na-2H]- 508.01967 217.6
[M]+ 487.04445 213.3
[M]- 487.04555 213.3
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.