CID 5275110

Chembl231538

Structural Information

Molecular Formula
C19H14N6O4
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C19H14N6O4/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
InChIKey
VZNPOWLHRUQLBI-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.10767 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11495 184.5
[M+Na]+ 413.09689 190.7
[M-H]- 389.10039 191.0
[M+NH4]+ 408.14149 190.8
[M+K]+ 429.07083 181.3
[M+H-H2O]+ 373.10493 176.4
[M+HCOO]- 435.10587 206.0
[M+CH3COO]- 449.12152 214.6
[M+Na-2H]- 411.08234 194.0
[M]+ 390.10712 185.3
[M]- 390.10822 185.3
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.