CID 207072

29122-56-3

Structural Information

Molecular Formula
C20H34ClNO
SMILES
CCC(C)C(CN(C(C)C)C(C)C)C1=C(C=CC(=C1)Cl)OCC
InChI
InChI=1S/C20H34ClNO/c1-8-16(7)19(13-22(14(3)4)15(5)6)18-12-17(21)10-11-20(18)23-9-2/h10-12,14-16,19H,8-9,13H2,1-7H3
InChIKey
QCFXUDLFIPHQPV-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-ethoxyphenyl)-3-methyl-N,N-di(propan-2-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23288 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.24016 186.9
[M+Na]+ 362.22210 190.7
[M-H]- 338.22560 190.8
[M+NH4]+ 357.26670 202.1
[M+K]+ 378.19604 187.9
[M+H-H2O]+ 322.23014 180.5
[M+HCOO]- 384.23108 201.2
[M+CH3COO]- 398.24673 224.0
[M+Na-2H]- 360.20755 182.1
[M]+ 339.23233 193.4
[M]- 339.23343 193.4
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.