CID 5275129

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

Structural Information

Molecular Formula
C19H15ClN4OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCOC4=CC=CC=C4Cl
InChI
InChI=1S/C19H15ClN4OS/c20-16-9-3-4-11-18(16)25-12-13-26-19-21-22-23-24(19)17-10-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2
InChIKey
ZNGKXJSLHAUNON-UHFFFAOYSA-N
Compound name
5-[2-(2-chlorophenoxy)ethylsulfanyl]-1-naphthalen-1-yltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.06552 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07280 185.7
[M+Na]+ 405.05474 197.8
[M-H]- 381.05824 191.8
[M+NH4]+ 400.09934 196.3
[M+K]+ 421.02868 189.3
[M+H-H2O]+ 365.06278 175.2
[M+HCOO]- 427.06372 197.0
[M+CH3COO]- 441.07937 196.0
[M+Na-2H]- 403.04019 188.9
[M]+ 382.06497 193.4
[M]- 382.06607 193.4
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.