CID 3074538

2h-indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (z)-

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CN(C)/C=C\1/C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O
InChI
InChI=1S/C11H11N3O3/c1-13(2)6-9-8-5-7(14(16)17)3-4-10(8)12-11(9)15/h3-6H,1-2H3,(H,12,15)/b9-6-
InChIKey
JKRFBGUETREWIP-TWGQIWQCSA-N
Compound name
(3Z)-3-(dimethylaminomethylidene)-5-nitro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.087326 148.4
[M+Na]+ 256.069268 155.7
[M-H]- 232.072774 152.0
[M+NH4]+ 251.113873 166.7
[M+K]+ 272.043208 148.9
[M+H-H2O]+ 216.077310 146.5
[M+HCOO]- 278.078251 171.8
[M+CH3COO]- 292.093901 187.4
[M+Na-2H]- 254.054716 154.2
[M]+ 233.07950142 145.9
[M]- 233.08059858 145.9
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.