CID 2064094

303091-25-0

Structural Information

Molecular Formula
C19H21N5OS
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3
InChI
InChI=1S/C19H21N5OS/c1-2-3-7-15-10-12-16(13-11-15)20-18(25)14-26-19-21-22-23-24(19)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14H2,1H3,(H,20,25)
InChIKey
JGWQFYJMCQUAMC-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14667 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.153946 185.9
[M+Na]+ 390.135888 193.4
[M-H]- 366.139394 190.7
[M+NH4]+ 385.180493 194.8
[M+K]+ 406.109828 186.4
[M+H-H2O]+ 350.143930 175.0
[M+HCOO]- 412.144871 201.2
[M+CH3COO]- 426.160521 194.8
[M+Na-2H]- 388.121336 186.6
[M]+ 367.14612142 189.3
[M]- 367.14721858 189.3
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.