CID 34837

Af 72

Structural Information

Molecular Formula
C18H24N6
SMILES
C1CCN(CC1)CC2=NC(=NC(=N2)N3CCC4=CC=CC=C4C3)N
InChI
InChI=1S/C18H24N6/c19-17-20-16(13-23-9-4-1-5-10-23)21-18(22-17)24-11-8-14-6-2-3-7-15(14)12-24/h2-3,6-7H,1,4-5,8-13H2,(H2,19,20,21,22)
InChIKey
CTVQFAXRPHINCY-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(piperidin-1-ylmethyl)-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]+ 325.21352 182.2
[M+Na]+ 347.19546 186.6
[M-H]- 323.19896 183.7
[M+NH4]+ 342.24006 188.7
[M+K]+ 363.16940 179.1
[M+H-H2O]+ 307.20350 168.4
[M+HCOO]- 369.20444 192.3
[M+CH3COO]- 383.22009 188.4
[M+Na-2H]- 345.18091 185.8
[M]+ 324.20569 173.5
[M]- 324.20679 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.