CID 10125830

(3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C20H16N2O3
SMILES
COC1=C(C=CC(=C1)C2=CC3=C(C=C2)/C(=C/C4=CC=CN4)/C(=O)N3)O
InChI
InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
InChIKey
AYSXURJZVXBSRV-WJDWOHSUSA-N
Compound name
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

332.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 178.0
[M+Na]+ 355.10532 186.8
[M-H]- 331.10882 183.5
[M+NH4]+ 350.14992 191.7
[M+K]+ 371.07926 179.0
[M+H-H2O]+ 315.11336 170.2
[M+HCOO]- 377.11430 195.4
[M+CH3COO]- 391.12995 188.1
[M+Na-2H]- 353.09077 176.8
[M]+ 332.11555 176.1
[M]- 332.11665 176.1
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