CID 288781

3,4-dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1h)2'-oxirane)1one

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1(CC2(C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C41)C
InChI
InChI=1S/C19H17NO4/c1-18(2)11-19(16(21)14-8-3-4-9-15(14)18)17(24-19)12-6-5-7-13(10-12)20(22)23/h3-10,17H,11H2,1-2H3
InChIKey
IDDOVPNRRHNRRQ-UHFFFAOYSA-N
Compound name
4,4-dimethyl-3'-(3-nitrophenyl)spiro[3H-naphthalene-2,2'-oxirane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 169.8
[M+Na]+ 346.104968 179.4
[M-H]- 322.108474 180.9
[M+NH4]+ 341.149573 182.3
[M+K]+ 362.078908 173.7
[M+H-H2O]+ 306.113010 167.1
[M+HCOO]- 368.113951 189.1
[M+CH3COO]- 382.129601 205.5
[M+Na-2H]- 344.090416 178.6
[M]+ 323.11520142 172.3
[M]- 323.11629858 172.3
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.