CID 201981

Brn 0628758

Structural Information

Molecular Formula
C17H25N7
SMILES
CN(C)C1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H25N7/c1-22(2)17-20-15(19-16(18)21-17)8-9-23-10-12-24(13-11-23)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,18,19,20,21)
InChIKey
PTGDZCABUBRYIS-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-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

327.21713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22441 182.6
[M+Na]+ 350.20635 187.5
[M-H]- 326.20985 185.7
[M+NH4]+ 345.25095 189.0
[M+K]+ 366.18029 182.0
[M+H-H2O]+ 310.21439 169.3
[M+HCOO]- 372.21533 198.0
[M+CH3COO]- 386.23098 190.1
[M+Na-2H]- 348.19180 186.2
[M]+ 327.21658 178.4
[M]- 327.21768 178.4
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.