CID 496500

Nsc692341

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1=C2C(=C(C=C1)OC)NC(C2=O)(C)C3(C(=O)C4=C(C=CC(=C4N3)OC)C)C
InChI
InChI=1S/C22H24N2O4/c1-11-7-9-13(27-5)17-15(11)19(25)21(3,23-17)22(4)20(26)16-12(2)8-10-14(28-6)18(16)24-22/h7-10,23-24H,1-6H3
InChIKey
VJPYNRLFQXJJDD-UHFFFAOYSA-N
Compound name
7-methoxy-2-(7-methoxy-2,4-dimethyl-3-oxo-1H-indol-2-yl)-2,4-dimethyl-1H-indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 189.6
[M+Na]+ 403.16282 201.5
[M-H]- 379.16632 194.8
[M+NH4]+ 398.20742 208.2
[M+K]+ 419.13676 195.1
[M+H-H2O]+ 363.17086 183.7
[M+HCOO]- 425.17180 204.8
[M+CH3COO]- 439.18745 218.3
[M+Na-2H]- 401.14827 188.6
[M]+ 380.17305 193.6
[M]- 380.17415 193.6
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.