CID 135600300

(z)-3-hydroxy-2-(((4-methoxyphenyl)imino)-2-thienylmethyl)-1h-inden-1-one

Structural Information

Molecular Formula
C21H15NO3S
SMILES
COC1=CC=C(C=C1)N=C(C2=CC=CS2)C3=C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C21H15NO3S/c1-25-14-10-8-13(9-11-14)22-19(17-7-4-12-26-17)18-20(23)15-5-2-3-6-16(15)21(18)24/h2-12,23H,1H3
InChIKey
POUJMFJIODOFBQ-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[N-(4-methoxyphenyl)-C-thiophen-2-ylcarbonimidoyl]inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.07727 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08455 184.2
[M+Na]+ 384.06649 197.4
[M+NH4]+ 379.11109 192.9
[M+K]+ 400.04043 191.1
[M-H]- 360.06999 190.7
[M+Na-2H]- 382.05194 192.2
[M]+ 361.07672 188.4
[M]- 361.07782 188.4
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.