CID 3070082

N-ethyl-3-(((1-phenyl-1h-tetrazol-5-yl)methyl)thio)propanamide

Structural Information

Molecular Formula
C13H17N5OS
SMILES
CCNC(=O)CCSCC1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C13H17N5OS/c1-2-14-13(19)8-9-20-10-12-15-16-17-18(12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,19)
InChIKey
UPLJXOHHBVVBBG-UHFFFAOYSA-N
Compound name
N-ethyl-3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.1154 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12268 165.6
[M+Na]+ 314.10462 173.5
[M-H]- 290.10812 167.3
[M+NH4]+ 309.14922 177.9
[M+K]+ 330.07856 168.8
[M+H-H2O]+ 274.11266 155.9
[M+HCOO]- 336.11360 181.4
[M+CH3COO]- 350.12925 200.9
[M+Na-2H]- 312.09007 167.3
[M]+ 291.11485 169.2
[M]- 291.11595 169.2
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

patents stripe