CID 5275121

5-[(e)-3-(2-chlorophenyl)allyl]sulfanyl-1-(1-naphthyl)tetrazole

Structural Information

Molecular Formula
C20H15ClN4S
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SC/C=C/C4=CC=CC=C4Cl
InChI
InChI=1S/C20H15ClN4S/c21-18-12-4-2-8-16(18)10-6-14-26-20-22-23-24-25(20)19-13-5-9-15-7-1-3-11-17(15)19/h1-13H,14H2/b10-6+
InChIKey
WBKQFRSLDNEAAK-UXBLZVDNSA-N
Compound name
5-[(E)-3-(2-chlorophenyl)prop-2-enyl]sulfanyl-1-naphthalen-1-yltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0706 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07788 187.4
[M+Na]+ 401.05982 199.8
[M-H]- 377.06332 193.3
[M+NH4]+ 396.10442 198.3
[M+K]+ 417.03376 189.8
[M+H-H2O]+ 361.06786 176.8
[M+HCOO]- 423.06880 198.4
[M+CH3COO]- 437.08445 197.5
[M+Na-2H]- 399.04527 189.8
[M]+ 378.07005 193.4
[M]- 378.07115 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.