CID 146939

Ci 922

Structural Information

Molecular Formula
C20H16N6O4
SMILES
COC1=CC2=C(C=C1)N(C3=C2OC(=C3OC)C(=O)NC4=NNN=N4)C5=CC=CC=C5
InChI
InChI=1S/C20H16N6O4/c1-28-12-8-9-14-13(10-12)16-15(26(14)11-6-4-3-5-7-11)17(29-2)18(30-16)19(27)21-20-22-24-25-23-20/h3-10H,1-2H3,(H2,21,22,23,24,25,27)
InChIKey
YCXRJOZNRPGVCN-UHFFFAOYSA-N
Compound name
3,7-dimethoxy-4-phenyl-N-(2H-tetrazol-5-yl)furo[3,2-b]indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

12
Patents

404.1233 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.130576 188.2
[M+Na]+ 427.112518 199.5
[M-H]- 403.116024 196.5
[M+NH4]+ 422.157123 197.4
[M+K]+ 443.086458 195.5
[M+H-H2O]+ 387.120560 179.1
[M+HCOO]- 449.121501 208.2
[M+CH3COO]- 463.137151 198.9
[M+Na-2H]- 425.097966 189.9
[M]+ 404.12275142 196.5
[M]- 404.12384858 196.5
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