CID 9588301

Brn 4586648

Structural Information

Molecular Formula
C21H17ClN4O3
SMILES
CC1=CC(=CC=C1)NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H17ClN4O3/c1-14-4-2-6-17(10-14)24-20-12-16(22)8-9-19(20)21(27)25-23-13-15-5-3-7-18(11-15)26(28)29/h2-13,24H,1H3,(H,25,27)/b23-13+
InChIKey
VKLGWXXZRLECGQ-YDZHTSKRSA-N
Compound name
4-chloro-2-(3-methylanilino)-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0989 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10618 196.9
[M+Na]+ 431.08812 201.4
[M-H]- 407.09162 207.1
[M+NH4]+ 426.13272 206.4
[M+K]+ 447.06206 191.6
[M+H-H2O]+ 391.09616 191.2
[M+HCOO]- 453.09710 220.1
[M+CH3COO]- 467.11275 225.6
[M+Na-2H]- 429.07357 201.8
[M]+ 408.09835 197.4
[M]- 408.09945 197.4
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.