CID 3051649

1,2-ethanediamine, n-(3-chlorophenyl)-n',n'-diethyl-n-(4-(1,1-dimethylethyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H31ClN2
SMILES
CCN(CC)CCN(C1=CC=C(C=C1)C(C)(C)C)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C22H31ClN2/c1-6-24(7-2)15-16-25(21-10-8-9-19(23)17-21)20-13-11-18(12-14-20)22(3,4)5/h8-14,17H,6-7,15-16H2,1-5H3
InChIKey
MMORYAOUSLOLST-UHFFFAOYSA-N
Compound name
N'-(4-tert-butylphenyl)-N'-(3-chlorophenyl)-N,N-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.2176 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22488 192.1
[M+Na]+ 381.20682 197.0
[M-H]- 357.21032 200.5
[M+NH4]+ 376.25142 206.7
[M+K]+ 397.18076 192.5
[M+H-H2O]+ 341.21486 183.6
[M+HCOO]- 403.21580 210.6
[M+CH3COO]- 417.23145 228.1
[M+Na-2H]- 379.19227 193.7
[M]+ 358.21705 197.7
[M]- 358.21815 197.7
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