CID 3030849

1,3-propanediamine, n,n-dimethyl-n'-(2-methylphenyl)-n'-(3-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H26N2
SMILES
CC1=CC(=CC=C1)N(CCCN(C)C)C2=CC=CC=C2C
InChI
InChI=1S/C19H26N2/c1-16-9-7-11-18(15-16)21(14-8-13-20(3)4)19-12-6-5-10-17(19)2/h5-7,9-12,15H,8,13-14H2,1-4H3
InChIKey
BRRFPXYHGPJCDM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(2-methylphenyl)-N'-(3-methylphenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 171.0
[M+Na]+ 305.19882 175.8
[M-H]- 281.20232 179.9
[M+NH4]+ 300.24342 187.6
[M+K]+ 321.17276 173.4
[M+H-H2O]+ 265.20686 161.9
[M+HCOO]- 327.20780 196.6
[M+CH3COO]- 341.22345 216.0
[M+Na-2H]- 303.18427 174.0
[M]+ 282.20905 173.6
[M]- 282.21015 173.6
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.