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]+ 294.14885 168.7
[M+Na]+ 316.13079 180.2
[M-H]- 292.13429 175.4
[M+NH4]+ 311.17539 189.7
[M+K]+ 332.10473 175.3
[M+H-H2O]+ 276.13883 161.1
[M+HCOO]- 338.13977 185.5
[M+CH3COO]- 352.15542 181.1
[M+Na-2H]- 314.11624 175.0
[M]+ 293.14102 170.1
[M]- 293.14212 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.