CID 3057004

73928-06-0

Structural Information

Molecular Formula
C22H15NO4
SMILES
CC1=CC2=CC3=CC=CC=C3C=C2OC14C=CC5=C(O4)C=CC(=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H15NO4/c1-14-10-18-11-15-4-2-3-5-16(15)13-21(18)27-22(14)9-8-17-12-19(23(24)25)6-7-20(17)26-22/h2-13H,1H3
InChIKey
SYMLYDQNLPMICL-UHFFFAOYSA-N
Compound name
3-methyl-6'-nitrospiro[benzo[g]chromene-2,2'-chromene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1001 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10738 180.8
[M+Na]+ 380.08932 188.5
[M-H]- 356.09282 190.2
[M+NH4]+ 375.13392 194.5
[M+K]+ 396.06326 181.6
[M+H-H2O]+ 340.09736 174.3
[M+HCOO]- 402.09830 197.3
[M+CH3COO]- 416.11395 211.5
[M+Na-2H]- 378.07477 192.1
[M]+ 357.09955 180.9
[M]- 357.10065 180.9
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

No patent data available for this compound.