CID 21156035

71673-19-3

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCOCCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(CC1(C)C)C
InChI
InChI=1S/C18H28N2O4/c1-5-23-10-11-24-9-8-19-17-12-15(20(21)22)6-7-16(17)14(2)13-18(19,3)4/h6-7,12,14H,5,8-11,13H2,1-4H3
InChIKey
SLVDSOOENOHJQD-UHFFFAOYSA-N
Compound name
1-[2-(2-ethoxyethoxy)ethyl]-2,2,4-trimethyl-7-nitro-3,4-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 181.4
[M+Na]+ 359.19412 187.1
[M-H]- 335.19762 183.9
[M+NH4]+ 354.23872 196.4
[M+K]+ 375.16806 180.4
[M+H-H2O]+ 319.20216 178.4
[M+HCOO]- 381.20310 199.9
[M+CH3COO]- 395.21875 208.9
[M+Na-2H]- 357.17957 186.2
[M]+ 336.20435 184.4
[M]- 336.20545 184.4
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.