CID 228185

Nsc20858

Structural Information

Molecular Formula
C26H24N6
SMILES
C1=CC=C(C=C1)CNC2=NN=C(C3=C2N=CN3CC4=CC=CC=C4)NCC5=CC=CC=C5
InChI
InChI=1S/C26H24N6/c1-4-10-20(11-5-1)16-27-25-23-24(32(19-29-23)18-22-14-8-3-9-15-22)26(31-30-25)28-17-21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H,27,30)(H,28,31)
InChIKey
HJISZQDVVRVOMP-UHFFFAOYSA-N
Compound name
4-N,7-N,3-tribenzylimidazo[4,5-d]pyridazine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.20624 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.21352 198.5
[M+Na]+ 443.19546 205.4
[M-H]- 419.19896 206.8
[M+NH4]+ 438.24006 204.2
[M+K]+ 459.16940 195.6
[M+H-H2O]+ 403.20350 184.4
[M+HCOO]- 465.20444 219.3
[M+CH3COO]- 479.22009 206.4
[M+Na-2H]- 441.18091 205.7
[M]+ 420.20569 198.8
[M]- 420.20679 198.8
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.