CID 393202

Nsc694690

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC(C)(C=C)C1(C2=CC=CC=C2N(C1=O)C)CC(OC)OC
InChI
InChI=1S/C18H25NO3/c1-7-17(2,3)18(12-15(21-5)22-6)13-10-8-9-11-14(13)19(4)16(18)20/h7-11,15H,1,12H2,2-6H3
InChIKey
IUDLELOBSIMMTL-UHFFFAOYSA-N
Compound name
3-(2,2-dimethoxyethyl)-1-methyl-3-(2-methylbut-3-en-2-yl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 172.9
[M+Na]+ 326.17266 181.0
[M-H]- 302.17616 176.1
[M+NH4]+ 321.21726 192.0
[M+K]+ 342.14660 178.1
[M+H-H2O]+ 286.18070 167.4
[M+HCOO]- 348.18164 190.7
[M+CH3COO]- 362.19729 207.3
[M+Na-2H]- 324.15811 175.3
[M]+ 303.18289 178.0
[M]- 303.18399 178.0
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.