CID 204704

Wv 0035

Structural Information

Molecular Formula
C17H28ClNO2
SMILES
CCN(CCOC1=C(C=C(C(=C1)C)OC)C(C)C)CCCl
InChI
InChI=1S/C17H28ClNO2/c1-6-19(8-7-18)9-10-21-17-11-14(4)16(20-5)12-15(17)13(2)3/h11-13H,6-10H2,1-5H3
InChIKey
WAAMSISHPKNCNC-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18813 176.6
[M+Na]+ 336.17007 183.2
[M-H]- 312.17357 181.1
[M+NH4]+ 331.21467 193.3
[M+K]+ 352.14401 180.2
[M+H-H2O]+ 296.17811 170.2
[M+HCOO]- 358.17905 195.0
[M+CH3COO]- 372.19470 215.7
[M+Na-2H]- 334.15552 176.3
[M]+ 313.18030 185.5
[M]- 313.18140 185.5
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.