CID 3049249

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

Structural Information

Molecular Formula
C19H26N2
SMILES
CC1=CC=CC=C1N(CCCN(C)C)C2=CC=CC=C2C
InChI
InChI=1S/C19H26N2/c1-16-10-5-7-12-18(16)21(15-9-14-20(3)4)19-13-8-6-11-17(19)2/h5-8,10-13H,9,14-15H2,1-4H3
InChIKey
BGFSZSNLIULVOH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N',N'-bis(2-methylphenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 171.5
[M+Na]+ 305.19882 185.1
[M+NH4]+ 300.24342 180.8
[M+K]+ 321.17276 176.2
[M-H]- 281.20232 178.7
[M+Na-2H]- 303.18427 181.3
[M]+ 282.20905 175.6
[M]- 282.21015 175.6
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

patents stripe