CID 3051651

1-pyrrolidineethanamine, n-(3-chlorophenyl)-n-(4-(1,1-dimethylethyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H29ClN2
SMILES
CC(C)(C)C1=CC=C(C=C1)N(CCN2CCCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C22H29ClN2/c1-22(2,3)18-9-11-20(12-10-18)25(16-15-24-13-4-5-14-24)21-8-6-7-19(23)17-21/h6-12,17H,4-5,13-16H2,1-3H3
InChIKey
BUDDUFHKNPMZFM-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-3-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.20193 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20921 190.8
[M+Na]+ 379.19115 195.5
[M-H]- 355.19465 199.3
[M+NH4]+ 374.23575 205.0
[M+K]+ 395.16509 189.4
[M+H-H2O]+ 339.19919 181.3
[M+HCOO]- 401.20013 205.6
[M+CH3COO]- 415.21578 218.7
[M+Na-2H]- 377.17660 190.6
[M]+ 356.20138 191.5
[M]- 356.20248 191.5
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