CID 221491

Hansa yellow

Structural Information

Molecular Formula
C17H16N4O4
SMILES
CC1=CC(=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)
InChIKey
MFYSUUPKMDJYPF-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

32196
Patents

340.11716 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12444 176.7
[M+Na]+ 363.10638 179.9
[M-H]- 339.10988 185.6
[M+NH4]+ 358.15098 188.7
[M+K]+ 379.08032 174.6
[M+H-H2O]+ 323.11442 171.4
[M+HCOO]- 385.11536 204.7
[M+CH3COO]- 399.13101 216.9
[M+Na-2H]- 361.09183 181.7
[M]+ 340.11661 176.3
[M]- 340.11771 176.3
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