CID 53918

77966-58-6

Structural Information

Molecular Formula
C15H23ClN2O
SMILES
CCCN(CCC)CC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C15H23ClN2O/c1-4-9-18(10-5-2)11-14(19)17-15-12(3)7-6-8-13(15)16/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)
InChIKey
JSQMPGDQFSNDBR-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(dipropylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1499 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15718 169.1
[M+Na]+ 305.13912 175.1
[M-H]- 281.14262 173.6
[M+NH4]+ 300.18372 186.4
[M+K]+ 321.11306 171.4
[M+H-H2O]+ 265.14716 162.6
[M+HCOO]- 327.14810 189.1
[M+CH3COO]- 341.16375 210.0
[M+Na-2H]- 303.12457 170.6
[M]+ 282.14935 173.8
[M]- 282.15045 173.8
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

patents stripe