CID 17413789

923720-58-5

Structural Information

Molecular Formula
C19H21ClN2O2
SMILES
CN(CC1=CC(=CC=C1)Cl)CC(=O)NC2CCOC3=CC=CC=C23
InChI
InChI=1S/C19H21ClN2O2/c1-22(12-14-5-4-6-15(20)11-14)13-19(23)21-17-9-10-24-18-8-3-2-7-16(17)18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23)
InChIKey
NFPIIGOEKRIDLQ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12915 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13643 182.0
[M+Na]+ 367.11837 186.8
[M-H]- 343.12187 190.2
[M+NH4]+ 362.16297 195.4
[M+K]+ 383.09231 183.2
[M+H-H2O]+ 327.12641 173.5
[M+HCOO]- 389.12735 198.1
[M+CH3COO]- 403.14300 218.1
[M+Na-2H]- 365.10382 186.1
[M]+ 344.12860 183.7
[M]- 344.12970 183.7
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.