CID 2829390

6-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indoline]

Structural Information

Molecular Formula
C20H21NO2
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)OC)C)C
InChI
InChI=1S/C20H21NO2/c1-19(2)16-7-5-6-8-17(16)21(3)20(19)12-11-14-13-15(22-4)9-10-18(14)23-20/h5-13H,1-4H3
InChIKey
AOSSPNVRJMKJNR-UHFFFAOYSA-N
Compound name
6-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

307.15723 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 172.9
[M+Na]+ 330.14645 184.2
[M-H]- 306.14995 180.6
[M+NH4]+ 325.19105 193.9
[M+K]+ 346.12039 180.0
[M+H-H2O]+ 290.15449 164.6
[M+HCOO]- 352.15543 190.7
[M+CH3COO]- 366.17108 185.4
[M+Na-2H]- 328.13190 179.0
[M]+ 307.15668 176.3
[M]- 307.15778 176.3
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