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 175.8
[M+Na]+ 333.17980 181.6
[M-H]- 309.18330 178.4
[M+NH4]+ 328.22440 185.1
[M+K]+ 349.15374 174.7
[M+H-H2O]+ 293.18784 163.0
[M+HCOO]- 355.18878 188.8
[M+CH3COO]- 369.20443 183.5
[M+Na-2H]- 331.16525 177.8
[M]+ 310.19003 169.2
[M]- 310.19113 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.