CID 3049260

1,3-propanediamine, n-(4-chloro-2-methylphenyl)-n',n'-dimethyl-n-(2-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H25ClN2
SMILES
CC1=CC=CC=C1N(CCCN(C)C)C2=C(C=C(C=C2)Cl)C
InChI
InChI=1S/C19H25ClN2/c1-15-8-5-6-9-18(15)22(13-7-12-21(3)4)19-11-10-17(20)14-16(19)2/h5-6,8-11,14H,7,12-13H2,1-4H3
InChIKey
NGPSJLRNSVKGRG-UHFFFAOYSA-N
Compound name
N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17062 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17790 178.5
[M+Na]+ 339.15984 185.1
[M-H]- 315.16334 187.5
[M+NH4]+ 334.20444 194.9
[M+K]+ 355.13378 180.8
[M+H-H2O]+ 299.16788 170.3
[M+HCOO]- 361.16882 199.6
[M+CH3COO]- 375.18447 220.7
[M+Na-2H]- 337.14529 180.2
[M]+ 316.17007 183.9
[M]- 316.17117 183.9
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.