CID 215862

Brn 0734829

Structural Information

Molecular Formula
C34H37N5
SMILES
C1CC(C=C1)NC2=NC(=NC=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H37N5/c1-4-12-28(13-5-1)34(29-14-6-2-7-15-29,30-16-8-3-9-17-30)21-23-38-24-26-39(27-25-38)33-35-22-20-32(37-33)36-31-18-10-11-19-31/h1-10,12-18,20,22,31H,11,19,21,23-27H2,(H,35,36,37)
InChIKey
SMRVVXSZFVJHGS-UHFFFAOYSA-N
Compound name
N-cyclopent-2-en-1-yl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.3049 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.31218 223.5
[M+Na]+ 538.29412 222.7
[M-H]- 514.29762 233.4
[M+NH4]+ 533.33872 222.5
[M+K]+ 554.26806 212.7
[M+H-H2O]+ 498.30216 206.5
[M+HCOO]- 560.30310 234.0
[M+CH3COO]- 574.31875 226.4
[M+Na-2H]- 536.27957 223.5
[M]+ 515.30435 214.4
[M]- 515.30545 214.4
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.