CID 374084

Nsc651344

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)N=NN(C)C
InChI
InChI=1S/C17H20N4O/c1-13-9-10-15(11-16(13)19-20-21(2)3)17(22)18-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,22)
InChIKey
KTMWOHRYHUGIKO-UHFFFAOYSA-N
Compound name
N-benzyl-3-(dimethylaminodiazenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.170976 170.9
[M+Na]+ 319.152918 175.9
[M-H]- 295.156424 181.5
[M+NH4]+ 314.197523 186.7
[M+K]+ 335.126858 174.4
[M+H-H2O]+ 279.160960 161.0
[M+HCOO]- 341.161901 201.3
[M+CH3COO]- 355.177551 221.7
[M+Na-2H]- 317.138366 176.3
[M]+ 296.16315142 173.2
[M]- 296.16424858 173.2
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.