CID 2999560

35118-14-0

Structural Information

Molecular Formula
C18H18N2O3
SMILES
COC1=C(C=C2C(=C1)CCNC23C4=CC=CC=C4NC3=O)OC
InChI
InChI=1S/C18H18N2O3/c1-22-15-9-11-7-8-19-18(13(11)10-16(15)23-2)12-5-3-4-6-14(12)20-17(18)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)
InChIKey
DPPDBBGIRZGZKC-UHFFFAOYSA-N
Compound name
6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

310.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.9
[M+Na]+ 333.12096 181.9
[M-H]- 309.12446 175.3
[M+NH4]+ 328.16556 189.8
[M+K]+ 349.09490 175.4
[M+H-H2O]+ 293.12900 164.6
[M+HCOO]- 355.12994 186.8
[M+CH3COO]- 369.14559 182.8
[M+Na-2H]- 331.10641 176.9
[M]+ 310.13119 171.0
[M]- 310.13229 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe