CID 135544918

361165-27-7

Structural Information

Molecular Formula
C19H19N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=C(C=C2)O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H19N5O3S/c1-2-24-18(13-6-4-3-5-7-13)22-23-19(24)28-12-17(27)21-20-11-14-8-9-15(25)10-16(14)26/h3-11,25-26H,2,12H2,1H3,(H,21,27)/b20-11+
InChIKey
YEYYTARDDRTYRL-RGVLZGJSSA-N
Compound name
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.12813 191.9
[M+Na]+ 420.11007 199.2
[M-H]- 396.11357 197.4
[M+NH4]+ 415.15467 200.0
[M+K]+ 436.08401 192.5
[M+H-H2O]+ 380.11811 181.9
[M+HCOO]- 442.11905 208.4
[M+CH3COO]- 456.13470 221.1
[M+Na-2H]- 418.09552 192.1
[M]+ 397.12030 195.1
[M]- 397.12140 195.1
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.