CID 90866

Spiro[2h-1-benzopyran-2,2'-[2h]indol]-6-ol, 1',3'-dihydro-1',3',3'-trimethyl-

Structural Information

Molecular Formula
C19H19NO2
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)O)C)C
InChI
InChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3
InChIKey
UHRBDHPBCHWWAG-UHFFFAOYSA-N
Compound name
1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

93
Patents

293.14157 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.148846 168.7
[M+Na]+ 316.130788 180.2
[M-H]- 292.134294 175.4
[M+NH4]+ 311.175393 189.7
[M+K]+ 332.104728 175.3
[M+H-H2O]+ 276.138830 161.1
[M+HCOO]- 338.139771 185.5
[M+CH3COO]- 352.155421 181.1
[M+Na-2H]- 314.116236 175.0
[M]+ 293.14102142 170.1
[M]- 293.14211858 170.1
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