CID 201959

Brn 0627752

Structural Information

Molecular Formula
C17H25N7
SMILES
CNC1=NC(=NC(=N1)N)CCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H25N7/c1-19-17-21-15(20-16(18)22-17)8-5-9-23-10-12-24(13-11-23)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H3,18,19,20,21,22)
InChIKey
SGSWLVRUFMHYAK-UHFFFAOYSA-N
Compound name
2-N-methyl-6-[3-(4-phenylpiperazin-1-yl)propyl]-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22441 180.5
[M+Na]+ 350.20635 193.0
[M+NH4]+ 345.25095 186.1
[M+K]+ 366.18029 185.8
[M-H]- 326.20985 184.8
[M+Na-2H]- 348.19180 188.6
[M]+ 327.21658 183.2
[M]- 327.21768 183.2
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.