CID 89784

1-(p-tert-butylbenzyl)-4-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)piperazine dimaleate

Structural Information

Molecular Formula
C30H38ClN3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CCNC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C30H38ClN3/c1-30(2,3)27-13-9-24(10-14-27)23-34-21-19-33(20-22-34)18-17-32-29(25-7-5-4-6-8-25)26-11-15-28(31)16-12-26/h4-16,29,32H,17-23H2,1-3H3
InChIKey
KSDSSELDAUELPG-UHFFFAOYSA-N
Compound name
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.27542 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.28270 222.1
[M+Na]+ 498.26464 223.6
[M-H]- 474.26814 229.2
[M+NH4]+ 493.30924 226.5
[M+K]+ 514.23858 214.6
[M+H-H2O]+ 458.27268 208.7
[M+HCOO]- 520.27362 229.9
[M+CH3COO]- 534.28927 226.7
[M+Na-2H]- 496.25009 220.9
[M]+ 475.27487 219.4
[M]- 475.27597 219.4
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

No patent data available for this compound.