CID 5345779

2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(1-methyl-1h-pyrrol-2-yl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C19H22N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CN2C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H22N6O2S/c1-4-25-18(14-7-9-16(27-3)10-8-14)22-23-19(25)28-13-17(26)21-20-12-15-6-5-11-24(15)2/h5-12H,4,13H2,1-3H3,(H,21,26)/b20-12+
InChIKey
SEANTDVEOMNOJU-UDWIEESQSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1525 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15978 194.0
[M+Na]+ 421.14172 203.6
[M-H]- 397.14522 202.0
[M+NH4]+ 416.18632 204.6
[M+K]+ 437.11566 198.2
[M+H-H2O]+ 381.14976 183.8
[M+HCOO]- 443.15070 214.4
[M+CH3COO]- 457.16635 225.7
[M+Na-2H]- 419.12717 192.7
[M]+ 398.15195 202.4
[M]- 398.15305 202.4
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.