CID 3002276

4-methoxy-n-[4-[[(4-methoxyphenyl)carbamothioylamino]carbamoyl]phenyl]benzamide

Structural Information

Molecular Formula
C23H22N4O4S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H22N4O4S/c1-30-19-11-5-15(6-12-19)21(28)24-17-7-3-16(4-8-17)22(29)26-27-23(32)25-18-9-13-20(31-2)14-10-18/h3-14H,1-2H3,(H,24,28)(H,26,29)(H2,25,27,32)
InChIKey
IYKSMVFWCUTNON-UHFFFAOYSA-N
Compound name
4-methoxy-N-[4-[[(4-methoxyphenyl)carbamothioylamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.13617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14345 205.4
[M+Na]+ 473.12539 207.9
[M-H]- 449.12889 214.3
[M+NH4]+ 468.16999 212.6
[M+K]+ 489.09933 203.4
[M+H-H2O]+ 433.13343 194.6
[M+HCOO]- 495.13437 225.0
[M+CH3COO]- 509.15002 238.2
[M+Na-2H]- 471.11084 206.8
[M]+ 450.13562 206.7
[M]- 450.13672 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.