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

0
Patents

328.20117 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20845 182.7
[M+Na]+ 351.19039 187.8
[M-H]- 327.19389 184.4
[M+NH4]+ 346.23499 188.5
[M+K]+ 367.16433 182.1
[M+H-H2O]+ 311.19843 169.7
[M+HCOO]- 373.19937 195.6
[M+CH3COO]- 387.21502 189.8
[M+Na-2H]- 349.17584 185.0
[M]+ 328.20062 178.6
[M]- 328.20172 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