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 194.2
[M+Na]+ 395.19546 199.1
[M-H]- 371.19896 192.4
[M+NH4]+ 390.24006 195.6
[M+K]+ 411.16940 192.1
[M+H-H2O]+ 355.20350 175.6
[M+HCOO]- 417.20444 196.6
[M+CH3COO]- 431.22009 197.9
[M+Na-2H]- 393.18091 199.2
[M]+ 372.20569 191.9
[M]- 372.20679 191.9
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.