CID 202017

Brn 1230198

Structural Information

Molecular Formula
C19H27N7O
SMILES
C1CN(CCN1CCC2=NC(=NC(=N2)N3CCOCC3)N)C4=CC=CC=C4
InChI
InChI=1S/C19H27N7O/c20-18-21-17(22-19(23-18)26-12-14-27-15-13-26)6-7-24-8-10-25(11-9-24)16-4-2-1-3-5-16/h1-5H,6-15H2,(H2,20,21,22,23)
InChIKey
IKDDBBDPVMNQLH-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.22772 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23500 192.6
[M+Na]+ 392.21694 205.8
[M+NH4]+ 387.26154 197.8
[M+K]+ 408.19088 199.0
[M-H]- 368.22044 198.8
[M+Na-2H]- 390.20239 200.2
[M]+ 369.22717 196.0
[M]- 369.22827 196.0
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.