CID 3059548

N-butyl-3-(3,3-dimethyltriazeno)-p-toluamide

Structural Information

Molecular Formula
C14H22N4O
SMILES
CCCCNC(=O)C1=CC(=C(C=C1)C)N=NN(C)C
InChI
InChI=1S/C14H22N4O/c1-5-6-9-15-14(19)12-8-7-11(2)13(10-12)16-17-18(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,19)
InChIKey
IWPGWGSPAQPNKN-UHFFFAOYSA-N
Compound name
N-butyl-3-(dimethylaminodiazenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.17935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 164.0
[M+Na]+ 285.16857 169.0
[M-H]- 261.17207 171.5
[M+NH4]+ 280.21317 181.8
[M+K]+ 301.14251 168.9
[M+H-H2O]+ 245.17661 155.3
[M+HCOO]- 307.17755 193.9
[M+CH3COO]- 321.19320 217.1
[M+Na-2H]- 283.15402 168.1
[M]+ 262.17880 167.7
[M]- 262.17990 167.7
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.