CID 34838

30146-69-1

Structural Information

Molecular Formula
C17H22N6
SMILES
C1CCN(C1)CC2=NC(=NC(=N2)N3CCC4=CC=CC=C4C3)N
InChI
InChI=1S/C17H22N6/c18-16-19-15(12-22-8-3-4-9-22)20-17(21-16)23-10-7-13-5-1-2-6-14(13)11-23/h1-2,5-6H,3-4,7-12H2,(H2,18,19,20,21)
InChIKey
DYBYNITZVGOVGU-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(pyrrolidin-1-ylmethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.19058 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.197856 175.8
[M+Na]+ 333.179798 181.6
[M-H]- 309.183304 178.4
[M+NH4]+ 328.224403 185.1
[M+K]+ 349.153738 174.7
[M+H-H2O]+ 293.187840 163.0
[M+HCOO]- 355.188781 188.8
[M+CH3COO]- 369.204431 183.5
[M+Na-2H]- 331.165246 177.8
[M]+ 310.19003142 169.2
[M]- 310.19112858 169.2
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.