CID 34840

Af 78

Structural Information

Molecular Formula
C23H27N7
SMILES
C1CN(CC2=CC=CC=C21)C3=NC(=NC(=N3)N)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H27N7/c24-22-25-21(17-28-12-14-29(15-13-28)20-8-2-1-3-9-20)26-23(27-22)30-11-10-18-6-4-5-7-19(18)16-30/h1-9H,10-17H2,(H2,24,25,26,27)
InChIKey
RICSVCCWQXYHPI-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24008 203.0
[M+Na]+ 424.22202 207.1
[M-H]- 400.22552 205.9
[M+NH4]+ 419.26662 204.3
[M+K]+ 440.19596 197.3
[M+H-H2O]+ 384.23006 186.7
[M+HCOO]- 446.23100 210.8
[M+CH3COO]- 460.24665 207.2
[M+Na-2H]- 422.20747 205.6
[M]+ 401.23225 193.9
[M]- 401.23335 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.