CID 5275128

1-(1-naphthyl)-5-[2-(2-nitrophenoxy)ethylsulfanyl]tetrazole

Structural Information

Molecular Formula
C19H15N5O3S
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCOC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C19H15N5O3S/c25-24(26)17-9-3-4-11-18(17)27-12-13-28-19-20-21-22-23(19)16-10-5-7-14-6-1-2-8-15(14)16/h1-11H,12-13H2
InChIKey
HRYVYAVKSJBZOQ-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-5-[2-(2-nitrophenoxy)ethylsulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.08957 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.09685 187.7
[M+Na]+ 416.07879 195.9
[M-H]- 392.08229 194.1
[M+NH4]+ 411.12339 195.4
[M+K]+ 432.05273 185.0
[M+H-H2O]+ 376.08683 180.8
[M+HCOO]- 438.08777 204.3
[M+CH3COO]- 452.10342 211.9
[M+Na-2H]- 414.06424 194.5
[M]+ 393.08902 190.9
[M]- 393.09012 190.9
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.