CID 252265

12h-benz[5,6]isoindolo[2,1-a]benzimidazole

Structural Information

Molecular Formula
C18H12N2
SMILES
C1C2=CC3=CC=CC=C3C=C2C4=NC5=CC=CC=C5N41
InChI
InChI=1S/C18H12N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-20-17-8-4-3-7-16(17)19-18(15)20/h1-10H,11H2
InChIKey
CQBUPYPPSHKTHC-UHFFFAOYSA-N
Compound name
3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.10004 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10732 156.7
[M+Na]+ 279.08926 169.2
[M-H]- 255.09276 162.7
[M+NH4]+ 274.13386 178.8
[M+K]+ 295.06320 161.9
[M+H-H2O]+ 239.09730 148.8
[M+HCOO]- 301.09824 177.7
[M+CH3COO]- 315.11389 170.1
[M+Na-2H]- 277.07471 163.9
[M]+ 256.09949 159.8
[M]- 256.10059 159.8
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.