CID 29821

19832-42-9

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CCCC1(CN(C1)CCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC
InChI
InChI=1S/C21H26N2O3/c1-3-12-21(18-5-4-6-20(14-18)26-2)15-22(16-21)13-11-17-7-9-19(10-8-17)23(24)25/h4-10,14H,3,11-13,15-16H2,1-2H3
InChIKey
BUEIYNKOUWLAIH-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-[2-(4-nitrophenyl)ethyl]-3-propylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 185.2
[M+Na]+ 377.18356 188.5
[M-H]- 353.18706 192.4
[M+NH4]+ 372.22816 191.1
[M+K]+ 393.15750 183.7
[M+H-H2O]+ 337.19160 174.3
[M+HCOO]- 399.19254 204.9
[M+CH3COO]- 413.20819 212.9
[M+Na-2H]- 375.16901 189.0
[M]+ 354.19379 194.0
[M]- 354.19489 194.0
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.