CID 3075615

Pd 158771

Structural Information

Molecular Formula
C22H31N5
SMILES
C1CC(CCC1CCN2CCN(CC2)C3=CC=CC=C3)NC4=NC=CC=N4
InChI
InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)
InChIKey
OUUMPVSFLSOGJZ-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3
Patents

365.25793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.26521 191.8
[M+Na]+ 388.24715 192.0
[M-H]- 364.25065 195.8
[M+NH4]+ 383.29175 196.3
[M+K]+ 404.22109 184.7
[M+H-H2O]+ 348.25519 176.8
[M+HCOO]- 410.25613 202.5
[M+CH3COO]- 424.27178 196.7
[M+Na-2H]- 386.23260 193.5
[M]+ 365.25738 181.4
[M]- 365.25848 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe