CID 1971280

618427-00-2

Structural Information

Molecular Formula
C19H22N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=CC=NC=C3
InChI
InChI=1S/C19H22N6OS/c1-4-25-18(14-9-11-20-12-10-14)22-23-19(25)27-13-17(26)21-15-5-7-16(8-6-15)24(2)3/h5-12H,4,13H2,1-3H3,(H,21,26)
InChIKey
YOYLARQFSFHCQZ-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[(4-ethyl-5-pyridin-4-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 190.2
[M+Na]+ 405.14682 197.6
[M-H]- 381.15032 196.8
[M+NH4]+ 400.19142 198.9
[M+K]+ 421.12076 191.9
[M+H-H2O]+ 365.15486 179.0
[M+HCOO]- 427.15580 206.8
[M+CH3COO]- 441.17145 199.3
[M+Na-2H]- 403.13227 190.5
[M]+ 382.15705 194.6
[M]- 382.15815 194.6
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.