CID 34836

Af 65

Structural Information

Molecular Formula
C17H22N6O
SMILES
C1CN(CC2=CC=CC=C21)CC3=NC(=NC(=N3)N4CCOCC4)N
InChI
InChI=1S/C17H22N6O/c18-16-19-15(20-17(21-16)23-7-9-24-10-8-23)12-22-6-5-13-3-1-2-4-14(13)11-22/h1-4H,5-12H2,(H2,18,19,20,21)
InChIKey
IIAIKQFMKXFAFT-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-morpholin-4-yl-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 180.6
[M+Na]+ 349.17474 194.5
[M+NH4]+ 344.21934 187.1
[M+K]+ 365.14868 187.4
[M-H]- 325.17824 186.3
[M+Na-2H]- 347.16019 187.4
[M]+ 326.18497 184.0
[M]- 326.18607 184.0
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.