CID 34838

Brn 0708661

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]+ 311.19786 175.2
[M+Na]+ 333.17980 188.2
[M+NH4]+ 328.22440 182.4
[M+K]+ 349.15374 182.6
[M-H]- 309.18330 179.5
[M+Na-2H]- 331.16525 182.4
[M]+ 310.19003 178.1
[M]- 310.19113 178.1
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.