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

1
Patents

328.20117 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.208446 182.7
[M+Na]+ 351.190388 187.8
[M-H]- 327.193894 184.4
[M+NH4]+ 346.234993 188.5
[M+K]+ 367.164328 182.1
[M+H-H2O]+ 311.198430 169.7
[M+HCOO]- 373.199371 195.6
[M+CH3COO]- 387.215021 189.8
[M+Na-2H]- 349.175836 185.0
[M]+ 328.20062142 178.6
[M]- 328.20171858 178.6
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