CID 34835

30146-58-8

Structural Information

Molecular Formula
C18H24N6
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)N)CN3CCC4=CC=CC=C4C3
InChI
InChI=1S/C18H24N6/c19-17-20-16(21-18(22-17)24-9-4-1-5-10-24)13-23-11-8-14-6-2-3-7-15(14)12-23/h2-3,6-7H,1,4-5,8-13H2,(H2,19,20,21,22)
InChIKey
XKCISFVGGLWDNY-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.20624 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.213516 182.2
[M+Na]+ 347.195458 186.6
[M-H]- 323.198964 183.7
[M+NH4]+ 342.240063 188.7
[M+K]+ 363.169398 179.1
[M+H-H2O]+ 307.203500 168.4
[M+HCOO]- 369.204441 192.3
[M+CH3COO]- 383.220091 188.4
[M+Na-2H]- 345.180906 185.8
[M]+ 324.20569142 173.5
[M]- 324.20678858 173.5
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.