CID 9003925

Piperazine, p1

Structural Information

Molecular Formula
C25H24N2O
SMILES
CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3
InChIKey
YJWADOTYZKBFIE-UHFFFAOYSA-N
Compound name
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

368.18887 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19615 192.0
[M+Na]+ 391.17809 197.9
[M-H]- 367.18159 199.8
[M+NH4]+ 386.22269 204.4
[M+K]+ 407.15203 190.2
[M+H-H2O]+ 351.18613 180.5
[M+HCOO]- 413.18707 206.1
[M+CH3COO]- 427.20272 200.4
[M+Na-2H]- 389.16354 191.8
[M]+ 368.18832 188.2
[M]- 368.18942 188.2
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.