CID 2940075

142529-77-9

Structural Information

Molecular Formula
C19H19N5O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3
InChI
InChI=1S/C19H19N5O2S/c1-3-11-24-18(14-5-4-10-20-12-14)22-23-19(24)27-13-17(25)21-15-6-8-16(26-2)9-7-15/h3-10,12H,1,11,13H2,2H3,(H,21,25)
InChIKey
OQUVDOSZNKUQCX-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

381.12595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13323 189.1
[M+Na]+ 404.11517 202.2
[M+NH4]+ 399.15977 194.4
[M+K]+ 420.08911 195.0
[M-H]- 380.11867 192.6
[M+Na-2H]- 402.10062 196.9
[M]+ 381.12540 192.2
[M]- 381.12650 192.2
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

patents stripe