CID 374078

Nsc651338

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)N=NN(C)C
InChI
InChI=1S/C16H17N3O2/c1-12-9-10-13(11-15(12)17-18-19(2)3)16(20)21-14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKey
BWZLIYAVTBMFEA-UHFFFAOYSA-N
Compound name
phenyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13208 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 166.4
[M+Na]+ 306.12130 178.9
[M+NH4]+ 301.16590 174.3
[M+K]+ 322.09524 171.8
[M-H]- 282.12480 172.9
[M+Na-2H]- 304.10675 176.1
[M]+ 283.13153 169.9
[M]- 283.13263 169.9
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.