CID 21685979

3418-69-7

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C1=O
InChI
InChI=1S/C18H15NO2/c20-18-8-9-19-16-7-6-15(10-14(16)11-17(18)19)21-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKey
KGYXZUGVROUFOU-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

277.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 162.8
[M+Na]+ 300.09952 173.1
[M-H]- 276.10302 171.0
[M+NH4]+ 295.14412 183.2
[M+K]+ 316.07346 167.7
[M+H-H2O]+ 260.10756 155.5
[M+HCOO]- 322.10850 186.2
[M+CH3COO]- 336.12415 176.0
[M+Na-2H]- 298.08497 166.6
[M]+ 277.10975 166.2
[M]- 277.11085 166.2
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

patents stripe