CID 46225

Skf 1001-a

Structural Information

Molecular Formula
C21H28ClNO
SMILES
CC(C)C1=CC=CC=C1OCC(C)N(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C21H28ClNO/c1-17(2)20-11-7-8-12-21(20)24-16-18(3)23(14-13-22)15-19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3
InChIKey
FUIKFLJWNDMUEY-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-1-(2-propan-2-ylphenoxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.18594 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19322 186.5
[M+Na]+ 368.17516 190.5
[M-H]- 344.17866 193.1
[M+NH4]+ 363.21976 200.6
[M+K]+ 384.14910 185.8
[M+H-H2O]+ 328.18320 178.1
[M+HCOO]- 390.18414 203.7
[M+CH3COO]- 404.19979 219.6
[M+Na-2H]- 366.16061 186.6
[M]+ 345.18539 191.5
[M]- 345.18649 191.5
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.