CID 374081

Nsc651341

Structural Information

Molecular Formula
C13H20N4O
SMILES
CC1=C(C=C(C=C1)C(=O)NC(C)C)N=NN(C)C
InChI
InChI=1S/C13H20N4O/c1-9(2)14-13(18)11-7-6-10(3)12(8-11)15-16-17(4)5/h6-9H,1-5H3,(H,14,18)
InChIKey
KLHKPFZJDCFZMF-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-4-methyl-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 160.1
[M+Na]+ 271.15293 165.3
[M-H]- 247.15643 168.0
[M+NH4]+ 266.19753 178.4
[M+K]+ 287.12687 166.0
[M+H-H2O]+ 231.16097 151.8
[M+HCOO]- 293.16191 189.4
[M+CH3COO]- 307.17756 215.0
[M+Na-2H]- 269.13838 163.5
[M]+ 248.16316 162.8
[M]- 248.16426 162.8
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.