CID 201952

Brn 0627195

Structural Information

Molecular Formula
C16H23N7
SMILES
CNC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H23N7/c1-18-16-20-14(19-15(17)21-16)7-8-22-9-11-23(12-10-22)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H3,17,18,19,20,21)
InChIKey
YJAVGNDZHWZWAW-UHFFFAOYSA-N
Compound name
2-N-methyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.20878 178.3
[M+Na]+ 336.19072 183.5
[M-H]- 312.19422 180.0
[M+NH4]+ 331.23532 184.6
[M+K]+ 352.16466 176.8
[M+H-H2O]+ 296.19876 165.3
[M+HCOO]- 358.19970 193.5
[M+CH3COO]- 372.21535 185.6
[M+Na-2H]- 334.17617 183.0
[M]+ 313.20095 172.5
[M]- 313.20205 172.5
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.