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]+ 222.10257 147.5
[M+Na]+ 244.08451 161.3
[M-H]- 220.08801 150.6
[M+NH4]+ 239.12911 168.6
[M+K]+ 260.05845 154.6
[M+H-H2O]+ 204.09255 140.2
[M+HCOO]- 266.09349 168.9
[M+CH3COO]- 280.10914 161.3
[M+Na-2H]- 242.06996 155.1
[M]+ 221.09474 151.0
[M]- 221.09584 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.