CID 60127

106287-92-7

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC1=C(C2=C(N1CC(=O)C3CCCCC3)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C20H25NO4/c1-13-16(11-20(23)24)17-10-15(25-2)8-9-18(17)21(13)12-19(22)14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,23,24)
InChIKey
OWWZKHOBMDDUBP-UHFFFAOYSA-N
Compound name
2-[1-(2-cyclohexyl-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 181.8
[M+Na]+ 366.16756 187.6
[M-H]- 342.17106 186.4
[M+NH4]+ 361.21216 195.8
[M+K]+ 382.14150 183.6
[M+H-H2O]+ 326.17560 174.0
[M+HCOO]- 388.17654 198.0
[M+CH3COO]- 402.19219 211.6
[M+Na-2H]- 364.15301 179.7
[M]+ 343.17779 183.0
[M]- 343.17889 183.0
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.