CID 374527

Nsc652278

Structural Information

Molecular Formula
C24H26N2O3
SMILES
C1CC=C(C(C1)C2(C(=O)C3=CC=CC=C3N2O)C4=CC=CC=C4)N5CCOCC5
InChI
InChI=1S/C24H26N2O3/c27-23-19-10-4-6-12-21(19)26(28)24(23,18-8-2-1-3-9-18)20-11-5-7-13-22(20)25-14-16-29-17-15-25/h1-4,6,8-10,12-13,20,28H,5,7,11,14-17H2
InChIKey
DTQWPAJNCXFQHJ-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(2-morpholin-4-ylcyclohex-2-en-1-yl)-2-phenylindol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.19434 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 195.3
[M+Na]+ 413.18356 199.6
[M-H]- 389.18706 204.2
[M+NH4]+ 408.22816 205.3
[M+K]+ 429.15750 194.3
[M+H-H2O]+ 373.19160 183.5
[M+HCOO]- 435.19254 206.2
[M+CH3COO]- 449.20819 202.7
[M+Na-2H]- 411.16901 194.5
[M]+ 390.19379 188.5
[M]- 390.19489 188.5
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.