CID 199952

Brn 0571905

Structural Information

Molecular Formula
C17H24N6O
SMILES
CC(CC1=NC(=NC(=N1)OC)N)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H24N6O/c1-13(12-15-19-16(18)21-17(20-15)24-2)22-8-10-23(11-9-22)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,18,19,20,21)
InChIKey
PGXNODHAPOYXMW-UHFFFAOYSA-N
Compound name
4-methoxy-6-[2-(4-phenylpiperazin-1-yl)propyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.20117 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20845 180.3
[M+Na]+ 351.19039 193.3
[M+NH4]+ 346.23499 185.7
[M+K]+ 367.16433 187.0
[M-H]- 327.19389 183.8
[M+Na-2H]- 349.17584 188.0
[M]+ 328.20062 182.9
[M]- 328.20172 182.9
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.