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]+ 317.177896 178.5
[M+Na]+ 339.159838 185.1
[M-H]- 315.163344 187.5
[M+NH4]+ 334.204443 194.9
[M+K]+ 355.133778 180.8
[M+H-H2O]+ 299.167880 170.3
[M+HCOO]- 361.168821 199.6
[M+CH3COO]- 375.184471 220.7
[M+Na-2H]- 337.145286 180.2
[M]+ 316.17007142 183.9
[M]- 316.17116858 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.