CID 135705570

1,3-dihydro-3-(1,3-dihydro-3-oxo-2h-indol-2-ylidene)-1-methyl-2h-indol-2-one 2-oxime

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CN1C2=CC=CC=C2C(=C1N=O)C3=C(C4=CC=CC=C4N3)O
InChI
InChI=1S/C17H13N3O2/c1-20-13-9-5-3-7-11(13)14(17(20)19-22)15-16(21)10-6-2-4-8-12(10)18-15/h2-9,18,21H,1H3
InChIKey
OFHJXISDSAZBPU-UHFFFAOYSA-N
Compound name
2-(1-methyl-2-nitrosoindol-3-yl)-1H-indol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 164.1
[M+Na]+ 314.08999 177.2
[M-H]- 290.09349 171.5
[M+NH4]+ 309.13459 182.4
[M+K]+ 330.06393 170.9
[M+H-H2O]+ 274.09803 156.7
[M+HCOO]- 336.09897 188.9
[M+CH3COO]- 350.11462 177.6
[M+Na-2H]- 312.07544 169.4
[M]+ 291.10022 169.2
[M]- 291.10132 169.2
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.