CID 199950

Brn 0571851

Structural Information

Molecular Formula
C17H24N6O
SMILES
COC1=NC(=NC(=N1)N)CCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H24N6O/c1-24-17-20-15(19-16(18)21-17)8-5-9-22-10-12-23(13-11-22)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H2,18,19,20,21)
InChIKey
NABPEGNJERKVAA-UHFFFAOYSA-N
Compound name
4-methoxy-6-[3-(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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20845 182.8
[M+Na]+ 351.19039 188.2
[M-H]- 327.19389 184.3
[M+NH4]+ 346.23499 188.6
[M+K]+ 367.16433 181.9
[M+H-H2O]+ 311.19843 169.5
[M+HCOO]- 373.19937 196.7
[M+CH3COO]- 387.21502 190.0
[M+Na-2H]- 349.17584 186.1
[M]+ 328.20062 179.2
[M]- 328.20172 179.2
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.