CID 110908

6587-80-0

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=CC(=C(C=C4O3)OC)[N+](=O)[O-])C)C
InChI
InChI=1S/C20H20N2O4/c1-19(2)14-7-5-6-8-15(14)21(3)20(19)10-9-13-11-16(22(23)24)18(25-4)12-17(13)26-20/h5-12H,1-4H3
InChIKey
YVXQOVOKDWEDNL-UHFFFAOYSA-N
Compound name
7-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

352.1423 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.149576 181.5
[M+Na]+ 375.131518 190.8
[M-H]- 351.135024 189.1
[M+NH4]+ 370.176123 199.3
[M+K]+ 391.105458 183.5
[M+H-H2O]+ 335.139560 177.7
[M+HCOO]- 397.140501 199.8
[M+CH3COO]- 411.156151 209.8
[M+Na-2H]- 373.116966 189.4
[M]+ 352.14175142 183.9
[M]- 352.14284858 183.9
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

patents stripe