CID 1071794

N-(2-methoxy-5-methylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3
InChI
InChI=1S/C18H19N5O2S/c1-12-4-5-15(25-3)14(10-12)20-16(24)11-26-18-22-21-17(23(18)2)13-6-8-19-9-7-13/h4-10H,11H2,1-3H3,(H,20,24)
InChIKey
ZOLCNKPBCBLPHS-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-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

369.12595 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13323 186.7
[M+Na]+ 392.11517 196.0
[M-H]- 368.11867 192.4
[M+NH4]+ 387.15977 195.9
[M+K]+ 408.08911 189.8
[M+H-H2O]+ 352.12321 176.3
[M+HCOO]- 414.12415 202.3
[M+CH3COO]- 428.13980 196.4
[M+Na-2H]- 390.10062 186.4
[M]+ 369.12540 191.9
[M]- 369.12650 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.