CID 2814448

Ns00016830

Structural Information

Molecular Formula
C21H15N3O4
SMILES
C1OC2=CC=CC(=C2O1)C=NOCC3=NN=C(O3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C21H15N3O4/c1-2-5-15-10-16(9-8-14(15)4-1)21-24-23-19(28-21)12-27-22-11-17-6-3-7-18-20(17)26-13-25-18/h1-11H,12-13H2
InChIKey
OZHYRDCLPSPGOM-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)-N-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.10626 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.113536 182.9
[M+Na]+ 396.095478 192.8
[M-H]- 372.098984 195.9
[M+NH4]+ 391.140083 193.6
[M+K]+ 412.069418 191.3
[M+H-H2O]+ 356.103520 173.9
[M+HCOO]- 418.104461 204.9
[M+CH3COO]- 432.120111 195.0
[M+Na-2H]- 394.080926 188.8
[M]+ 373.10571142 190.5
[M]- 373.10680858 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.