CID 374087

Nsc651347

Structural Information

Molecular Formula
C16H26N4O
SMILES
CC1=C(C=C(C=C1)C(=O)N(C(C)C)C(C)C)N=NN(C)C
InChI
InChI=1S/C16H26N4O/c1-11(2)20(12(3)4)16(21)14-9-8-13(5)15(10-14)17-18-19(6)7/h8-12H,1-7H3
InChIKey
JQEOTXIMIBXSLR-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-4-methyl-N,N-di(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.21066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21794 174.4
[M+Na]+ 313.19988 178.3
[M-H]- 289.20338 183.2
[M+NH4]+ 308.24448 191.5
[M+K]+ 329.17382 180.2
[M+H-H2O]+ 273.20792 165.5
[M+HCOO]- 335.20886 202.1
[M+CH3COO]- 349.22451 228.3
[M+Na-2H]- 311.18533 174.3
[M]+ 290.21011 178.8
[M]- 290.21121 178.8
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.