CID 6481630

Schembl5858769

Structural Information

Molecular Formula
C17H17N7
SMILES
C1=CC=C2C(=C1)N=C(N2CCC(=N)N)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H17N7/c18-16(19)9-10-23-14-7-3-1-5-12(14)20-17(23)11-24-15-8-4-2-6-13(15)21-22-24/h1-8H,9-11H2,(H3,18,19)
InChIKey
ICYKGINXRCCKAU-UHFFFAOYSA-N
Compound name
3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

319.15454 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16182 172.3
[M+Na]+ 342.14376 183.0
[M-H]- 318.14726 175.9
[M+NH4]+ 337.18836 184.8
[M+K]+ 358.11770 175.9
[M+H-H2O]+ 302.15180 161.8
[M+HCOO]- 364.15274 193.6
[M+CH3COO]- 378.16839 182.9
[M+Na-2H]- 340.12921 178.1
[M]+ 319.15399 174.9
[M]- 319.15509 174.9
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

patents stripe