CID 1987385

577786-91-5

Structural Information

Molecular Formula
C19H22N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=CN=CC=C3
InChI
InChI=1S/C19H22N6OS/c1-4-25-18(14-6-5-11-20-12-14)22-23-19(25)27-13-17(26)21-15-7-9-16(10-8-15)24(2)3/h5-12H,4,13H2,1-3H3,(H,21,26)
InChIKey
AUOUXNUWZFLIFV-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1576 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16488 188.5
[M+Na]+ 405.14682 200.9
[M+NH4]+ 400.19142 194.4
[M+K]+ 421.12076 194.3
[M-H]- 381.15032 193.3
[M+Na-2H]- 403.13227 197.0
[M]+ 382.15705 191.9
[M]- 382.15815 191.9
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.