CID 447480

Cra_10655

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1CCC(C1)OC2=CC=CC(=C2O)C3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
InChIKey
WCFWDBPDMBXMTQ-UHFFFAOYSA-N
Compound name
2-(3-cyclopentyloxy-2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

336.15863 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 175.0
[M+Na]+ 359.14785 181.4
[M-H]- 335.15135 181.2
[M+NH4]+ 354.19245 188.1
[M+K]+ 375.12179 175.1
[M+H-H2O]+ 319.15589 166.5
[M+HCOO]- 381.15683 194.5
[M+CH3COO]- 395.17248 184.7
[M+Na-2H]- 357.13330 175.4
[M]+ 336.15808 170.9
[M]- 336.15918 170.9
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