CID 264546

Nsc99690

Structural Information

Molecular Formula
C21H25NO4
SMILES
CCOC(CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)O)OCC
InChI
InChI=1S/C21H25NO4/c1-3-25-19(26-4-2)14-21(24)17-12-8-9-13-18(17)22(20(21)23)15-16-10-6-5-7-11-16/h5-13,19,24H,3-4,14-15H2,1-2H3
InChIKey
QOWDSAWEAJZYRI-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2,2-diethoxyethyl)-3-hydroxyindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 186.1
[M+Na]+ 378.16756 192.6
[M-H]- 354.17106 190.7
[M+NH4]+ 373.21216 201.5
[M+K]+ 394.14150 188.4
[M+H-H2O]+ 338.17560 177.9
[M+HCOO]- 400.17654 204.3
[M+CH3COO]- 414.19219 212.1
[M+Na-2H]- 376.15301 187.4
[M]+ 355.17779 190.2
[M]- 355.17889 190.2
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.