CID 207513

Af 73

Structural Information

Molecular Formula
C17H22N6O
SMILES
C1CN(CC2=CC=CC=C21)C3=NC(=NC(=N3)N)CN4CCOCC4
InChI
InChI=1S/C17H22N6O/c18-16-19-15(12-22-7-9-24-10-8-22)20-17(21-16)23-6-5-13-3-1-2-4-14(13)11-23/h1-4H,5-12H2,(H2,18,19,20,21)
InChIKey
GZNITGCANOQBQW-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.18552 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19280 182.0
[M+Na]+ 349.17474 187.0
[M-H]- 325.17824 184.4
[M+NH4]+ 344.21934 187.1
[M+K]+ 365.14868 181.3
[M+H-H2O]+ 309.18278 168.2
[M+HCOO]- 371.18372 191.7
[M+CH3COO]- 385.19937 188.6
[M+Na-2H]- 347.16019 186.2
[M]+ 326.18497 174.9
[M]- 326.18607 174.9
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.