CID 3044262

56968-50-4

Structural Information

Molecular Formula
C16H22N6O
SMILES
COC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H22N6O/c1-23-16-19-14(18-15(17)20-16)7-8-21-9-11-22(12-10-21)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,19,20)
InChIKey
PBTIRPONIDZWQP-UHFFFAOYSA-N
Compound name
4-methoxy-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

1
Patents

314.18552 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.192796 178.7
[M+Na]+ 337.174738 184.6
[M-H]- 313.178244 180.4
[M+NH4]+ 332.219343 185.1
[M+K]+ 353.148678 178.5
[M+H-H2O]+ 297.182780 165.7
[M+HCOO]- 359.183721 192.9
[M+CH3COO]- 373.199371 186.3
[M+Na-2H]- 335.160186 182.5
[M]+ 314.18497142 174.8
[M]- 314.18606858 174.8
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

patents stripe