CID 85986

16331-96-7

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC1(C2=C(C=CC(=C2)OC)N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C
InChI
InChI=1S/C20H20N2O4/c1-19(2)16-12-15(25-4)6-7-17(16)21(3)20(19)10-9-13-11-14(22(23)24)5-8-18(13)26-20/h5-12H,1-4H3
InChIKey
YPVXHRMUYMHMIT-UHFFFAOYSA-N
Compound name
5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

352.1423 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 180.7
[M+Na]+ 375.13152 195.9
[M+NH4]+ 370.17612 192.0
[M+K]+ 391.10546 189.1
[M-H]- 351.13502 187.2
[M+Na-2H]- 373.11697 187.9
[M]+ 352.14175 185.2
[M]- 352.14285 185.2
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