CID 95091

Dtxsid20863770

Structural Information

Molecular Formula
C18H18N4O5
SMILES
CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O5/c1-11-6-4-5-7-14(11)19-18(24)17(12(2)23)21-20-15-9-8-13(27-3)10-16(15)22(25)26/h4-10,17H,1-3H3,(H,19,24)
InChIKey
FNFZZQUKYRHMTI-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

71
Patents

370.12772 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13500 184.1
[M+Na]+ 393.11694 187.5
[M-H]- 369.12044 193.2
[M+NH4]+ 388.16154 195.0
[M+K]+ 409.09088 182.8
[M+H-H2O]+ 353.12498 178.6
[M+HCOO]- 415.12592 211.9
[M+CH3COO]- 429.14157 223.3
[M+Na-2H]- 391.10239 188.2
[M]+ 370.12717 185.7
[M]- 370.12827 185.7
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