CID 3073649

151392-10-8

Structural Information

Molecular Formula
C18H20N4O4S
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20N4O4S/c1-12(23)19-13-5-9-16(10-6-13)26-11-17(24)21-22-18(27)20-14-3-7-15(25-2)8-4-14/h3-10H,11H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,27)
InChIKey
MZMJNXWUCMLCCE-UHFFFAOYSA-N
Compound name
N-[4-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1205 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12778 189.7
[M+Na]+ 411.10972 196.7
[M+NH4]+ 406.15432 194.2
[M+K]+ 427.08366 190.6
[M-H]- 387.11322 193.2
[M+Na-2H]- 409.09517 195.2
[M]+ 388.11995 191.5
[M]- 388.12105 191.5
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.