CID 3068214

Brn 5095924

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CN\1C2=CC=CC=C2C(=O)/C1=C\3/C4=CC=CC=C4N(C3=O)C
InChI
InChI=1S/C18H14N2O2/c1-19-14-10-6-4-8-12(14)17(21)16(19)15-11-7-3-5-9-13(11)20(2)18(15)22/h3-10H,1-2H3/b16-15+
InChIKey
DHOHPSKPDJGMKC-FOCLMDBBSA-N
Compound name
(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 168.3
[M+Na]+ 313.09475 179.8
[M-H]- 289.09825 175.5
[M+NH4]+ 308.13935 187.4
[M+K]+ 329.06869 173.4
[M+H-H2O]+ 273.10279 161.0
[M+HCOO]- 335.10373 187.8
[M+CH3COO]- 349.11938 180.8
[M+Na-2H]- 311.08020 167.9
[M]+ 290.10498 169.1
[M]- 290.10608 169.1
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.