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

0
Patents

314.18552 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19280 178.7
[M+Na]+ 337.17474 184.6
[M-H]- 313.17824 180.4
[M+NH4]+ 332.21934 185.1
[M+K]+ 353.14868 178.5
[M+H-H2O]+ 297.18278 165.7
[M+HCOO]- 359.18372 192.9
[M+CH3COO]- 373.19937 186.3
[M+Na-2H]- 335.16019 182.5
[M]+ 314.18497 174.8
[M]- 314.18607 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