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]+ 324.12303 169.8
[M+Na]+ 346.10497 179.4
[M-H]- 322.10847 180.9
[M+NH4]+ 341.14957 182.3
[M+K]+ 362.07891 173.7
[M+H-H2O]+ 306.11301 167.1
[M+HCOO]- 368.11395 189.1
[M+CH3COO]- 382.12960 205.5
[M+Na-2H]- 344.09042 178.6
[M]+ 323.11520 172.3
[M]- 323.11630 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.