CID 36125

Benzylamine, n-(2-chloroethyl)-n-(2-phenoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H20ClNO
SMILES
C1=CC=C(C=C1)CN(CCOC2=CC=CC=C2)CCCl
InChI
InChI=1S/C17H20ClNO/c18-11-12-19(15-16-7-3-1-4-8-16)13-14-20-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKey
VPQDAMSKYJKQPT-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

289.12335 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13063 168.0
[M+Na]+ 312.11257 173.4
[M-H]- 288.11607 174.8
[M+NH4]+ 307.15717 184.2
[M+K]+ 328.08651 168.6
[M+H-H2O]+ 272.12061 159.9
[M+HCOO]- 334.12155 188.5
[M+CH3COO]- 348.13720 205.0
[M+Na-2H]- 310.09802 173.4
[M]+ 289.12280 172.3
[M]- 289.12390 172.3
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

patents stripe