CID 135600302

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

Structural Information

Molecular Formula
C21H15NO3S
SMILES
COC1=CC=CC=C1N=C(C2=CC=CS2)C3=C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C21H15NO3S/c1-25-16-10-5-4-9-15(16)22-19(17-11-6-12-26-17)18-20(23)13-7-2-3-8-14(13)21(18)24/h2-12,23H,1H3
InChIKey
INDFACBWTWYRIF-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[N-(2-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 185.7
[M+Na]+ 384.06649 195.1
[M-H]- 360.06999 198.0
[M+NH4]+ 379.11109 203.4
[M+K]+ 400.04043 189.8
[M+H-H2O]+ 344.07453 179.3
[M+HCOO]- 406.07547 206.7
[M+CH3COO]- 420.09112 197.9
[M+Na-2H]- 382.05194 184.7
[M]+ 361.07672 191.1
[M]- 361.07782 191.1
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.