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]+ 368.15395 185.6
[M+Na]+ 390.13589 198.8
[M+NH4]+ 385.18049 191.8
[M+K]+ 406.10983 191.0
[M-H]- 366.13939 189.7
[M+Na-2H]- 388.12134 194.2
[M]+ 367.14612 189.0
[M]- 367.14722 189.0
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.