CID 210893

S-triazine, 2-amino-4-(4-phenyl-1-piperazinyl)-6-(piperidinomethyl)-

Structural Information

Molecular Formula
C19H27N7
SMILES
C1CCN(CC1)CC2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)N
InChI
InChI=1S/C19H27N7/c20-18-21-17(15-24-9-5-2-6-10-24)22-19(23-18)26-13-11-25(12-14-26)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,20,21,22,23)
InChIKey
OCVJAKLNEVQFTC-UHFFFAOYSA-N
Compound name
4-(4-phenylpiperazin-1-yl)-6-(piperidin-1-ylmethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.240076 191.2
[M+Na]+ 376.222018 194.0
[M-H]- 352.225524 193.1
[M+NH4]+ 371.266623 193.7
[M+K]+ 392.195958 186.1
[M+H-H2O]+ 336.230060 175.8
[M+HCOO]- 398.231001 199.6
[M+CH3COO]- 412.246651 195.9
[M+Na-2H]- 374.207466 192.7
[M]+ 353.23225142 180.5
[M]- 353.23334858 180.5
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.