CID 199951

1,3,5-triazin-2-amine, 4-methoxy-6-(2-(4-(4-methylphenyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C17H24N6O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC(=NC(=N3)OC)N
InChI
InChI=1S/C17H24N6O/c1-13-3-5-14(6-4-13)23-11-9-22(10-12-23)8-7-15-19-16(18)21-17(20-15)24-2/h3-6H,7-12H2,1-2H3,(H2,18,19,20,21)
InChIKey
XYOAGSKMMUCLSA-UHFFFAOYSA-N
Compound name
4-methoxy-6-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-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]+ 329.208446 184.4
[M+Na]+ 351.190388 190.8
[M-H]- 327.193894 186.3
[M+NH4]+ 346.234993 190.6
[M+K]+ 367.164328 184.5
[M+H-H2O]+ 311.198430 171.4
[M+HCOO]- 373.199371 198.2
[M+CH3COO]- 387.215021 191.9
[M+Na-2H]- 349.175836 186.8
[M]+ 328.20062142 181.2
[M]- 328.20171858 181.2
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.