CID 90293

23892-52-6

Structural Information

Molecular Formula
C31H41N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CCNCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H41N3/c1-31(2,3)29-16-14-26(15-17-29)25-34-22-20-33(21-23-34)19-18-32-24-30(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h4-17,30,32H,18-25H2,1-3H3
InChIKey
KVCHRSBJNYHOFA-UHFFFAOYSA-N
Compound name
N-[2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-2,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.33005 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.33733 218.3
[M+Na]+ 478.31927 217.7
[M-H]- 454.32277 225.1
[M+NH4]+ 473.36387 222.3
[M+K]+ 494.29321 209.8
[M+H-H2O]+ 438.32731 204.4
[M+HCOO]- 500.32825 230.4
[M+CH3COO]- 514.34390 238.1
[M+Na-2H]- 476.30472 218.0
[M]+ 455.32950 212.9
[M]- 455.33060 212.9
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.