CID 215861

N-cyclopropyl-n-methyl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-4-pyrimidinamine 2hcl

Structural Information

Molecular Formula
C33H37N5
SMILES
CN(C1CC1)C2=NC(=NC=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H37N5/c1-36(30-17-18-30)31-19-21-34-32(35-31)38-25-23-37(24-26-38)22-20-33(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-16,19,21,30H,17-18,20,22-26H2,1H3
InChIKey
MUTPHOHNLBQVBM-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-methyl-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

503.3049 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.31218 226.8
[M+Na]+ 526.29412 228.4
[M-H]- 502.29762 237.2
[M+NH4]+ 521.33872 221.5
[M+K]+ 542.26806 220.0
[M+H-H2O]+ 486.30216 210.8
[M+HCOO]- 548.30310 239.3
[M+CH3COO]- 562.31875 229.8
[M+Na-2H]- 524.27957 228.3
[M]+ 503.30435 222.1
[M]- 503.30545 222.1
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.