CID 3007723

5'-chloro-7-methoxy-1',3',3'-trimethyl-spiro[chromene-2,2'-indoline]

Structural Information

Molecular Formula
C20H20ClNO2
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C13C=CC4=C(O3)C=C(C=C4)OC)C)C
InChI
InChI=1S/C20H20ClNO2/c1-19(2)16-11-14(21)6-8-17(16)22(3)20(19)10-9-13-5-7-15(23-4)12-18(13)24-20/h5-12H,1-4H3
InChIKey
AOTKXFDRKZEVLV-UHFFFAOYSA-N
Compound name
5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.11826 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12554 179.5
[M+Na]+ 364.10748 192.4
[M-H]- 340.11098 187.2
[M+NH4]+ 359.15208 200.2
[M+K]+ 380.08142 186.7
[M+H-H2O]+ 324.11552 171.9
[M+HCOO]- 386.11646 192.7
[M+CH3COO]- 400.13211 191.8
[M+Na-2H]- 362.09293 184.3
[M]+ 341.11771 185.4
[M]- 341.11881 185.4
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

No patent data available for this compound.