CID 106064

Einecs 267-683-7

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)NC(=O)OC
InChI
InChI=1S/C15H16N4O2/c1-10-9-11(16)3-8-14(10)19-18-13-6-4-12(5-7-13)17-15(20)21-2/h3-9H,16H2,1-2H3,(H,17,20)
InChIKey
QMMLWXUTSYZDSL-UHFFFAOYSA-N
Compound name
methyl N-[4-[(4-amino-2-methylphenyl)diazenyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 164.9
[M+Na]+ 307.11654 171.6
[M-H]- 283.12004 174.4
[M+NH4]+ 302.16114 180.7
[M+K]+ 323.09048 169.5
[M+H-H2O]+ 267.12458 155.6
[M+HCOO]- 329.12552 195.1
[M+CH3COO]- 343.14117 214.6
[M+Na-2H]- 305.10199 170.5
[M]+ 284.12677 165.9
[M]- 284.12787 165.9
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.