CID 3059552

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

Structural Information

Molecular Formula
C18H30N4O
SMILES
CC1=C(C=C(C=C1)C(=O)N(CC(C)C)CC(C)C)N=NN(C)C
InChI
InChI=1S/C18H30N4O/c1-13(2)11-22(12-14(3)4)18(23)16-9-8-15(5)17(10-16)19-20-21(6)7/h8-10,13-14H,11-12H2,1-7H3
InChIKey
ATUGUFQZJJVFIJ-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-4-methyl-N,N-bis(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.24197 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.24925 183.8
[M+Na]+ 341.23119 186.8
[M-H]- 317.23469 192.2
[M+NH4]+ 336.27579 199.7
[M+K]+ 357.20513 188.3
[M+H-H2O]+ 301.23923 174.5
[M+HCOO]- 363.24017 210.8
[M+CH3COO]- 377.25582 234.2
[M+Na-2H]- 339.21664 182.6
[M]+ 318.24142 188.9
[M]- 318.24252 188.9
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.