CID 207515

Af 76

Structural Information

Molecular Formula
C22H24N6
SMILES
C1CNC(C2=CC=CC=C21)C3(C4=NC(N=C3N4)N)C5C6=CC=CC=C6CCN5
InChI
InChI=1S/C22H24N6/c23-21-27-19-22(20(26-19)28-21,17-15-7-3-1-5-13(15)9-11-24-17)18-16-8-4-2-6-14(16)10-12-25-18/h1-8,17-18,21,24-25H,9-12,23H2,(H,26,27,28)
InChIKey
GSWHSIKFRKXVIC-UHFFFAOYSA-N
Compound name
7,7-bis(1,2,3,4-tetrahydroisoquinolin-1-yl)-2,4,6-triazabicyclo[3.1.1]hepta-1,4-dien-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.20624 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21352 191.8
[M+Na]+ 395.19546 201.3
[M+NH4]+ 390.24006 196.7
[M+K]+ 411.16940 192.9
[M-H]- 371.19896 192.8
[M+Na-2H]- 393.18091 194.6
[M]+ 372.20569 192.3
[M]- 372.20679 192.3
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.