CID 447478

Cra_10433

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CCC(C1)OC2=CC=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)
InChIKey
CFSQPEBVGUSQII-UHFFFAOYSA-N
Compound name
2-(3-cyclopentyloxy-2-hydroxyphenyl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

335.1634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 175.7
[M+Na]+ 358.15262 181.7
[M-H]- 334.15612 183.0
[M+NH4]+ 353.19722 190.2
[M+K]+ 374.12656 175.2
[M+H-H2O]+ 318.16066 167.9
[M+HCOO]- 380.16160 196.1
[M+CH3COO]- 394.17725 185.6
[M+Na-2H]- 356.13807 175.5
[M]+ 335.16285 171.4
[M]- 335.16395 171.4
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