CID 88746

Brn 0771462

Structural Information

Molecular Formula
C32H35N5
SMILES
C=CCNC1=CN=C(N=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H35N5/c1-2-19-33-30-25-34-31(35-26-30)37-23-21-36(22-24-37)20-18-32(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,25-26,33H,1,18-24H2
InChIKey
FFRDTEGDTSKBIT-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.28925 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.29653 223.5
[M+Na]+ 512.27847 223.9
[M-H]- 488.28197 230.3
[M+NH4]+ 507.32307 222.2
[M+K]+ 528.25241 213.2
[M+H-H2O]+ 472.28651 206.6
[M+HCOO]- 534.28745 234.2
[M+CH3COO]- 548.30310 226.5
[M+Na-2H]- 510.26392 226.5
[M]+ 489.28870 216.1
[M]- 489.28980 216.1
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.