CID 207516

Af 79

Structural Information

Molecular Formula
C24H29N7
SMILES
C1CN(CC2=CC=CC=C21)C3=NC(=NC(=N3)N)CN4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C24H29N7/c25-23-26-22(18-30-14-12-29(13-15-30)16-19-6-2-1-3-7-19)27-24(28-23)31-11-10-20-8-4-5-9-21(20)17-31/h1-9H,10-18H2,(H2,25,26,27,28)
InChIKey
DSUYNRMTAJWASV-UHFFFAOYSA-N
Compound name
4-[(4-benzylpiperazin-1-yl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.24844 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25572 206.8
[M+Na]+ 438.23766 210.4
[M-H]- 414.24116 209.5
[M+NH4]+ 433.28226 207.6
[M+K]+ 454.21160 200.4
[M+H-H2O]+ 398.24570 190.3
[M+HCOO]- 460.24664 214.3
[M+CH3COO]- 474.26229 210.6
[M+Na-2H]- 436.22311 208.9
[M]+ 415.24789 198.0
[M]- 415.24899 198.0
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.