CID 3062251

N-ethyl-4-((1-methyl-1h-tetrazol-5-yl)thio)-n-phenylbutanamide

Structural Information

Molecular Formula
C14H19N5OS
SMILES
CCN(C1=CC=CC=C1)C(=O)CCCSC2=NN=NN2C
InChI
InChI=1S/C14H19N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKey
GWAWZLIQMUDDLO-UHFFFAOYSA-N
Compound name
N-ethyl-4-(1-methyltetrazol-5-yl)sulfanyl-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

305.13104 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13832 170.4
[M+Na]+ 328.12026 177.9
[M-H]- 304.12376 173.4
[M+NH4]+ 323.16486 182.7
[M+K]+ 344.09420 174.4
[M+H-H2O]+ 288.12830 160.3
[M+HCOO]- 350.12924 186.3
[M+CH3COO]- 364.14489 207.2
[M+Na-2H]- 326.10571 170.9
[M]+ 305.13049 175.5
[M]- 305.13159 175.5
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