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 148.4
[M+Na]+ 256.06927 155.7
[M-H]- 232.07277 152.0
[M+NH4]+ 251.11387 166.7
[M+K]+ 272.04321 148.9
[M+H-H2O]+ 216.07731 146.5
[M+HCOO]- 278.07825 171.8
[M+CH3COO]- 292.09390 187.4
[M+Na-2H]- 254.05472 154.2
[M]+ 233.07950 145.9
[M]- 233.08060 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.