CID 2734964

14726-28-4

Structural Information

Molecular Formula
C15H14N3O2
SMILES
CC1=CC(=C(C=C1C(=O)NC2=CC=CC=C2)OC)[N+]#N
InChI
InChI=1S/C15H13N3O2/c1-10-8-13(18-16)14(20-2)9-12(10)15(19)17-11-6-4-3-5-7-11/h3-9H,1-2H3/p+1
InChIKey
TVBITHVBOPNPAC-UHFFFAOYSA-O
Compound name
2-methoxy-5-methyl-4-(phenylcarbamoyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1086 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11588 163.1
[M+Na]+ 291.09782 177.4
[M+NH4]+ 286.14242 168.4
[M+K]+ 307.07176 167.9
[M-H]- 267.10132 162.3
[M+Na-2H]- 289.08327 169.7
[M]+ 268.10805 164.4
[M]- 268.10915 164.4
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.