CID 278867

Nsc128807

Structural Information

Molecular Formula
C14H11N3
SMILES
CC1=CC2=C(C=C1)N3C(=N2)C4=CC=CC=C4N3
InChI
InChI=1S/C14H11N3/c1-9-6-7-13-12(8-9)15-14-10-4-2-3-5-11(10)16-17(13)14/h2-8,16H,1H3
InChIKey
SGJQGWQOIRNGGC-UHFFFAOYSA-N
Compound name
2-methyl-6H-benzimidazolo[1,2-b]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09529 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.102566 147.5
[M+Na]+ 244.084508 161.3
[M-H]- 220.088014 150.6
[M+NH4]+ 239.129113 168.6
[M+K]+ 260.058448 154.6
[M+H-H2O]+ 204.092550 140.2
[M+HCOO]- 266.093491 168.9
[M+CH3COO]- 280.109141 161.3
[M+Na-2H]- 242.069956 155.1
[M]+ 221.09474142 151.0
[M]- 221.09583858 151.0
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.