CID 207474

Brn 0628200

Structural Information

Molecular Formula
C15H19N7O
SMILES
C1CN(CC(=O)N1)C2=NC(=NC(=N2)NCCC3=CC=CC=C3)N
InChI
InChI=1S/C15H19N7O/c16-13-19-14(18-7-6-11-4-2-1-3-5-11)21-15(20-13)22-9-8-17-12(23)10-22/h1-5H,6-10H2,(H,17,23)(H3,16,18,19,20,21)
InChIKey
WCXBUBYOMYLZFB-UHFFFAOYSA-N
Compound name
4-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

313.1651 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17238 175.8
[M+Na]+ 336.15432 181.2
[M-H]- 312.15782 176.6
[M+NH4]+ 331.19892 181.3
[M+K]+ 352.12826 174.0
[M+H-H2O]+ 296.16236 163.4
[M+HCOO]- 358.16330 190.3
[M+CH3COO]- 372.17895 182.9
[M+Na-2H]- 334.13977 180.8
[M]+ 313.16455 168.7
[M]- 313.16565 168.7
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