CID 366650

Nsc635325

Structural Information

Molecular Formula
C24H20N2O7
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O
InChI
InChI=1S/C24H20N2O7/c1-32-17-8-3-14(4-9-17)21(22(27)15-5-10-18(33-2)11-6-15)24(29)19-13-16(26(30)31)7-12-20(19)25-23(24)28/h3-13,21,29H,1-2H3,(H,25,28)
InChIKey
DQILQAFCZDCXKQ-UHFFFAOYSA-N
Compound name
3-[1,2-bis(4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-5-nitro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.12704 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13432 202.8
[M+Na]+ 471.11626 206.9
[M-H]- 447.11976 209.8
[M+NH4]+ 466.16086 211.6
[M+K]+ 487.09020 199.1
[M+H-H2O]+ 431.12430 198.0
[M+HCOO]- 493.12524 219.4
[M+CH3COO]- 507.14089 220.9
[M+Na-2H]- 469.10171 205.2
[M]+ 448.12649 202.7
[M]- 448.12759 202.7
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.