CID 1282

Hemi-babim

Structural Information

Molecular Formula
C16H14N6
SMILES
C1=CC=C2C(=C1)NC(=N2)CC3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
InChIKey
KKJYVDXDZURHMA-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethyl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36
Patents

290.128 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13528 162.9
[M+Na]+ 313.11722 173.4
[M-H]- 289.12072 165.5
[M+NH4]+ 308.16182 176.7
[M+K]+ 329.09116 165.2
[M+H-H2O]+ 273.12526 154.1
[M+HCOO]- 335.12620 183.2
[M+CH3COO]- 349.14185 173.6
[M+Na-2H]- 311.10267 168.7
[M]+ 290.12745 161.4
[M]- 290.12855 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe