CID 380254

Nsc665734

Structural Information

Molecular Formula
C21H25NO4
SMILES
CC(=CC1C(C1(C)C)C(=O)OC2(C3=CC=CC=C3NC2=O)CC(=O)C)C
InChI
InChI=1S/C21H25NO4/c1-12(2)10-15-17(20(15,4)5)18(24)26-21(11-13(3)23)14-8-6-7-9-16(14)22-19(21)25/h6-10,15,17H,11H2,1-5H3,(H,22,25)
InChIKey
AYRGLPVOHJUCOU-UHFFFAOYSA-N
Compound name
[2-oxo-3-(2-oxopropyl)-1H-indol-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 183.7
[M+Na]+ 378.16756 192.9
[M-H]- 354.17106 189.3
[M+NH4]+ 373.21216 196.8
[M+K]+ 394.14150 188.2
[M+H-H2O]+ 338.17560 179.6
[M+HCOO]- 400.17654 198.5
[M+CH3COO]- 414.19219 215.7
[M+Na-2H]- 376.15301 182.1
[M]+ 355.17779 189.3
[M]- 355.17889 189.3
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.