CID 2691386

Bzo-poxizid

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCCCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13,25H,2-3,9,14H2,1H3
InChIKey
XPLMQEMEOJHAQP-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

335.1634 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.0
[M+Na]+ 358.15262 187.8
[M-H]- 334.15612 188.1
[M+NH4]+ 353.19722 195.4
[M+K]+ 374.12656 183.0
[M+H-H2O]+ 318.16066 170.5
[M+HCOO]- 380.16160 206.3
[M+CH3COO]- 394.17725 217.7
[M+Na-2H]- 356.13807 184.4
[M]+ 335.16285 184.9
[M]- 335.16395 184.9
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.