CID 115463

63978-43-8

Structural Information

Molecular Formula
C24H29N5
SMILES
C1CN(CCN1CCNC(CC2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC=N4
InChI
InChI=1S/C24H29N5/c1-3-8-21(9-4-1)20-23(22-10-5-2-6-11-22)25-14-15-28-16-18-29(19-17-28)24-26-12-7-13-27-24/h1-13,23,25H,14-20H2
InChIKey
MCZLTHSUUGWUDT-UHFFFAOYSA-N
Compound name
1,2-diphenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.2423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24958 195.1
[M+Na]+ 410.23152 196.2
[M-H]- 386.23502 199.6
[M+NH4]+ 405.27612 198.5
[M+K]+ 426.20546 188.2
[M+H-H2O]+ 370.23956 180.0
[M+HCOO]- 432.24050 208.4
[M+CH3COO]- 446.25615 200.4
[M+Na-2H]- 408.21697 198.9
[M]+ 387.24175 188.5
[M]- 387.24285 188.5
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

No patent data available for this compound.