CID 3021695

1,3-propanediamine, n-(p-chlorophenyl)-n',n'-dimethyl-n-(2-methylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C18H23ClN2
SMILES
CC1=CC=CC=C1N(CCCN(C)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H23ClN2/c1-15-7-4-5-8-18(15)21(14-6-13-20(2)3)17-11-9-16(19)10-12-17/h4-5,7-12H,6,13-14H2,1-3H3
InChIKey
XDMHXQFCHYDIFV-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15497 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16225 173.7
[M+Na]+ 325.14419 188.3
[M+NH4]+ 320.18879 183.4
[M+K]+ 341.11813 178.7
[M-H]- 301.14769 180.9
[M+Na-2H]- 323.12964 183.7
[M]+ 302.15442 178.3
[M]- 302.15552 178.3
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

No patent data available for this compound.