CID 3066111

109523-88-8

Structural Information

Molecular Formula
C17H20ClNO
SMILES
CN(C)CCOCC1=CC=C(C=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C17H20ClNO/c1-19(2)11-12-20-13-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10H,11-13H2,1-2H3
InChIKey
UPOWQVYUIAJWHF-UHFFFAOYSA-N
Compound name
2-[[4-(2-chlorophenyl)phenyl]methoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.12335 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13063 167.8
[M+Na]+ 312.11257 175.0
[M-H]- 288.11607 175.4
[M+NH4]+ 307.15717 184.7
[M+K]+ 328.08651 170.4
[M+H-H2O]+ 272.12061 160.1
[M+HCOO]- 334.12155 188.3
[M+CH3COO]- 348.13720 207.3
[M+Na-2H]- 310.09802 171.8
[M]+ 289.12280 172.9
[M]- 289.12390 172.9
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