CID 15954817

Schembl6816638

Structural Information

Molecular Formula
C16H18N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(N=C(C=C2)OC)OC
InChI
InChI=1S/C16H18N4O3S/c1-10(21)17-11-4-6-12(7-5-11)18-16(24)19-13-8-9-14(22-2)20-15(13)23-3/h4-9H,1-3H3,(H,17,21)(H2,18,19,24)
InChIKey
PWQGUYKNRUJAKH-UHFFFAOYSA-N
Compound name
N-[4-[(2,6-dimethoxypyridin-3-yl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

346.10995 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11723 179.4
[M+Na]+ 369.09917 184.9
[M-H]- 345.10267 184.8
[M+NH4]+ 364.14377 190.7
[M+K]+ 385.07311 180.8
[M+H-H2O]+ 329.10721 170.0
[M+HCOO]- 391.10815 198.4
[M+CH3COO]- 405.12380 217.5
[M+Na-2H]- 367.08462 181.3
[M]+ 346.10940 182.1
[M]- 346.11050 182.1
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

patents stripe