CID 27823

N-methyl-n-nitroso-4-(phenylazo)aniline

Structural Information

Molecular Formula
C13H12N4O
SMILES
CN(C1=CC=C(C=C1)N=NC2=CC=CC=C2)N=O
InChI
InChI=1S/C13H12N4O/c1-17(16-18)13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
YKCOXSGBLMSJLH-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-phenyldiazenylphenyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

240.1011 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 151.0
[M+Na]+ 263.09032 157.4
[M-H]- 239.09382 163.2
[M+NH4]+ 258.13492 169.5
[M+K]+ 279.06426 157.1
[M+H-H2O]+ 223.09836 141.2
[M+HCOO]- 285.09930 185.3
[M+CH3COO]- 299.11495 210.8
[M+Na-2H]- 261.07577 161.0
[M]+ 240.10055 154.0
[M]- 240.10165 154.0
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