CID 3059550

N,n-dimethyl-3-(3,3-dimethyltriazeno)-p-toluamide

Structural Information

Molecular Formula
C12H18N4O
SMILES
CC1=C(C=C(C=C1)C(=O)N(C)C)N=NN(C)C
InChI
InChI=1S/C12H18N4O/c1-9-6-7-10(12(17)15(2)3)8-11(9)13-14-16(4)5/h6-8H,1-5H3
InChIKey
PODLSYBIGIJWLK-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-N,N,4-trimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 155.1
[M+Na]+ 257.137278 161.2
[M-H]- 233.140784 164.6
[M+NH4]+ 252.181883 174.7
[M+K]+ 273.111218 163.0
[M+H-H2O]+ 217.145320 146.7
[M+HCOO]- 279.146261 186.2
[M+CH3COO]- 293.161911 214.5
[M+Na-2H]- 255.122726 159.6
[M]+ 234.14751142 159.4
[M]- 234.14860858 159.4
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.