CID 110865

Einecs 229-357-2

Structural Information

Molecular Formula
C18H17ClN4O4
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C
InChI
InChI=1S/C18H17ClN4O4/c1-10-4-6-14(11(2)8-10)20-18(25)17(12(3)24)22-21-15-7-5-13(19)9-16(15)23(26)27/h4-9,17H,1-3H3,(H,20,25)
InChIKey
GPZGURVRGFCPNQ-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

388.09384 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10112 190.4
[M+Na]+ 411.08306 195.5
[M-H]- 387.08656 199.5
[M+NH4]+ 406.12766 201.9
[M+K]+ 427.05700 188.6
[M+H-H2O]+ 371.09110 186.5
[M+HCOO]- 433.09204 213.6
[M+CH3COO]- 447.10769 225.9
[M+Na-2H]- 409.06851 192.8
[M]+ 388.09329 193.7
[M]- 388.09439 193.7
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

patents stripe