CID 5747083

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

Structural Information

Molecular Formula
C18H15N3O2
SMILES
CN1C2=CC=CC=C2C(=C1NOC)C3=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H15N3O2/c1-21-14-10-6-4-8-12(14)15(18(21)20-23-2)16-17(22)11-7-3-5-9-13(11)19-16/h3-10,20H,1-2H3
InChIKey
AINPPRUXBGTIIQ-UHFFFAOYSA-N
Compound name
2-[2-(methoxyamino)-1-methylindol-3-yl]indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 169.4
[M+Na]+ 328.10564 181.4
[M-H]- 304.10914 177.4
[M+NH4]+ 323.15024 187.6
[M+K]+ 344.07958 175.8
[M+H-H2O]+ 288.11368 161.3
[M+HCOO]- 350.11462 193.9
[M+CH3COO]- 364.13027 182.5
[M+Na-2H]- 326.09109 173.5
[M]+ 305.11587 175.0
[M]- 305.11697 175.0
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.