CID 516496

Schembl9113789

Structural Information

Molecular Formula
C23H24N8
SMILES
C1CC1N=C(C2=CC3=C(C=C2)N=C(N3)CC4=NC5=C(N4)C=C(C=C5)C(=NC6CC6)N)N
InChI
InChI=1S/C23H24N8/c24-22(26-14-3-4-14)12-1-7-16-18(9-12)30-20(28-16)11-21-29-17-8-2-13(10-19(17)31-21)23(25)27-15-5-6-15/h1-2,7-10,14-15H,3-6,11H2,(H2,24,26)(H2,25,27)(H,28,30)(H,29,31)
InChIKey
RQIKZESXNUJNFV-UHFFFAOYSA-N
Compound name
N'-cyclopropyl-2-[[6-(N'-cyclopropylcarbamimidoyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

412.2124 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21968 193.8
[M+Na]+ 435.20162 201.7
[M-H]- 411.20512 202.3
[M+NH4]+ 430.24622 193.5
[M+K]+ 451.17556 191.7
[M+H-H2O]+ 395.20966 188.0
[M+HCOO]- 457.21060 213.3
[M+CH3COO]- 471.22625 199.9
[M+Na-2H]- 433.18707 194.6
[M]+ 412.21185 196.0
[M]- 412.21295 196.0
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.