CID 3051647

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

Structural Information

Molecular Formula
C23H31ClN2
SMILES
CC(C)(C)C1=CC=C(C=C1)N(CCN2CCCCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H31ClN2/c1-23(2,3)19-10-12-21(13-11-19)26(22-9-7-8-20(24)18-22)17-16-25-14-5-4-6-15-25/h7-13,18H,4-6,14-17H2,1-3H3
InChIKey
KNRRFTRGWRECAN-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-3-chloro-N-(2-piperidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.2176 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22488 193.7
[M+Na]+ 393.20682 196.9
[M-H]- 369.21032 201.3
[M+NH4]+ 388.25142 205.2
[M+K]+ 409.18076 190.7
[M+H-H2O]+ 353.21486 183.3
[M+HCOO]- 415.21580 205.9
[M+CH3COO]- 429.23145 222.2
[M+Na-2H]- 391.19227 194.7
[M]+ 370.21705 192.4
[M]- 370.21815 192.4
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