CID 1081731

603978-80-9

Structural Information

Molecular Formula
C18H21N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=CC=CO3
InChI
InChI=1S/C18H21N5O2S/c1-4-23-17(15-6-5-11-25-15)20-21-18(23)26-12-16(24)19-13-7-9-14(10-8-13)22(2)3/h5-11H,4,12H2,1-3H3,(H,19,24)
InChIKey
SMWUWCLJMYBNFW-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

371.1416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14888 186.4
[M+Na]+ 394.13082 198.0
[M+NH4]+ 389.17542 192.3
[M+K]+ 410.10476 194.3
[M-H]- 370.13432 192.1
[M+Na-2H]- 392.11627 193.5
[M]+ 371.14105 190.0
[M]- 371.14215 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.