CID 3075326

3-chloro-n-(3-(3,3-dimethyl-1-triazenyl)phenyl)propanamide

Structural Information

Molecular Formula
C11H15ClN4O
SMILES
CN(C)N=NC1=CC=CC(=C1)NC(=O)CCCl
InChI
InChI=1S/C11H15ClN4O/c1-16(2)15-14-10-5-3-4-9(8-10)13-11(17)6-7-12/h3-5,8H,6-7H2,1-2H3,(H,13,17)
InChIKey
IMUIWIPJUPKECM-UHFFFAOYSA-N
Compound name
3-chloro-N-[3-(dimethylaminodiazenyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10072 158.6
[M+Na]+ 277.08266 164.8
[M-H]- 253.08616 166.1
[M+NH4]+ 272.12726 177.2
[M+K]+ 293.05660 163.3
[M+H-H2O]+ 237.09070 151.1
[M+HCOO]- 299.09164 185.0
[M+CH3COO]- 313.10729 210.5
[M+Na-2H]- 275.06811 164.4
[M]+ 254.09289 163.0
[M]- 254.09399 163.0
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.