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]+ 234.08733 148.5
[M+Na]+ 256.06927 159.3
[M+NH4]+ 251.11387 155.4
[M+K]+ 272.04321 158.8
[M-H]- 232.07277 150.6
[M+Na-2H]- 254.05472 151.8
[M]+ 233.07950 150.1
[M]- 233.08060 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.