CID 3059546

3-(3,3-dimethyltriazeno)-n-methyl-p-toluamide

Structural Information

Molecular Formula
C11H16N4O
SMILES
CC1=C(C=C(C=C1)C(=O)NC)N=NN(C)C
InChI
InChI=1S/C11H16N4O/c1-8-5-6-9(11(16)12-2)7-10(8)13-14-15(3)4/h5-7H,1-4H3,(H,12,16)
InChIKey
FURYZTDHAWBSKU-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-N,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.139696 150.2
[M+Na]+ 243.121638 156.5
[M-H]- 219.125144 158.3
[M+NH4]+ 238.166243 169.6
[M+K]+ 259.095578 157.1
[M+H-H2O]+ 203.129680 142.1
[M+HCOO]- 265.130621 181.1
[M+CH3COO]- 279.146271 208.0
[M+Na-2H]- 241.107086 155.9
[M]+ 220.13187142 152.8
[M]- 220.13296858 152.8
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.