CID 34839

Af 77

Structural Information

Molecular Formula
C18H25N7
SMILES
CN1CCN(CC1)CC2=NC(=NC(=N2)N3CCC4=CC=CC=C4C3)N
InChI
InChI=1S/C18H25N7/c1-23-8-10-24(11-9-23)13-16-20-17(19)22-18(21-16)25-7-6-14-4-2-3-5-15(14)12-25/h2-5H,6-13H2,1H3,(H2,19,20,21,22)
InChIKey
RMIMTXLHUVHRKQ-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21713 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22441 189.4
[M+Na]+ 362.20635 194.8
[M-H]- 338.20985 190.0
[M+NH4]+ 357.25095 194.2
[M+K]+ 378.18029 186.9
[M+H-H2O]+ 322.21439 175.2
[M+HCOO]- 384.21533 198.0
[M+CH3COO]- 398.23098 195.1
[M+Na-2H]- 360.19180 192.1
[M]+ 339.21658 181.6
[M]- 339.21768 181.6
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.