CID 27823

16339-01-8

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.