CID 61637

Bxl1j43eki

Structural Information

Molecular Formula
C17H15ClN4O5
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)
InChIKey
QPHCXDDGQQLPIM-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

50
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

literature stripe

Patent stripe

patents stripe