CID 149378

66639-24-5

Structural Information

Molecular Formula
C19H20N8
SMILES
C1=CC2=C(C=C1C(=N)N)NC(=N2)CCCC3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C19H20N8/c20-18(21)10-4-6-12-14(8-10)26-16(24-12)2-1-3-17-25-13-7-5-11(19(22)23)9-15(13)27-17/h4-9H,1-3H2,(H3,20,21)(H3,22,23)(H,24,26)(H,25,27)
InChIKey
JSWDSBAWSDFTEK-UHFFFAOYSA-N
Compound name
2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)propyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

137
Patents

360.1811 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18838 179.5
[M+Na]+ 383.17032 187.5
[M-H]- 359.17382 182.1
[M+NH4]+ 378.21492 189.7
[M+K]+ 399.14426 179.3
[M+H-H2O]+ 343.17836 170.4
[M+HCOO]- 405.17930 199.5
[M+CH3COO]- 419.19495 188.0
[M+Na-2H]- 381.15577 183.4
[M]+ 360.18055 176.3
[M]- 360.18165 176.3
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