CID 90970

Einecs 245-856-8

Structural Information

Molecular Formula
C17H15ClN4O5
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)OC)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-12-4-6-13(27-2)7-5-12)21-20-14-8-3-11(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)
InChIKey
OFVGYSFBEXROII-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

390.0731 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08038 187.9
[M+Na]+ 413.06232 192.2
[M-H]- 389.06582 196.8
[M+NH4]+ 408.10692 198.9
[M+K]+ 429.03626 186.1
[M+H-H2O]+ 373.07036 183.7
[M+HCOO]- 435.07130 211.6
[M+CH3COO]- 449.08695 223.8
[M+Na-2H]- 411.04777 191.8
[M]+ 390.07255 191.7
[M]- 390.07365 191.7
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