CID 59381

C 5385

Structural Information

Molecular Formula
C18H30ClN3O
SMILES
CCCN(CCN(CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C18H30ClN3O/c1-5-11-22(13-12-21(6-2)7-3)14-17(23)20-18-15(4)9-8-10-16(18)19/h8-10H,5-7,11-14H2,1-4H3,(H,20,23)
InChIKey
NMNVFBILLJQJSW-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.20773 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21501 187.9
[M+Na]+ 362.19695 191.9
[M-H]- 338.20045 193.2
[M+NH4]+ 357.24155 203.1
[M+K]+ 378.17089 188.9
[M+H-H2O]+ 322.20499 180.2
[M+HCOO]- 384.20593 208.4
[M+CH3COO]- 398.22158 227.3
[M+Na-2H]- 360.18240 187.3
[M]+ 339.20718 194.3
[M]- 339.20828 194.3
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.