CID 6102763

N-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide

Structural Information

Molecular Formula
C20H25ClN2O2
SMILES
CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)NCCN)Cl
InChI
InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24)
InChIKey
DFXJYVQAAFOZDP-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

360.16046 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.167736 188.7
[M+Na]+ 383.149678 194.1
[M-H]- 359.153184 194.3
[M+NH4]+ 378.194283 201.4
[M+K]+ 399.123618 188.4
[M+H-H2O]+ 343.157720 180.7
[M+HCOO]- 405.158661 206.5
[M+CH3COO]- 419.174311 220.8
[M+Na-2H]- 381.135126 188.1
[M]+ 360.15991142 191.8
[M]- 360.16100858 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe