CID 15954862

Schembl6811944

Structural Information

Molecular Formula
C23H24N4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)NCC3=CC=CC=C3
InChI
InChI=1S/C23H24N4O2S/c1-16(28)25-18-8-10-19(11-9-18)26-23(30)27-21-13-12-20(29-2)14-22(21)24-15-17-6-4-3-5-7-17/h3-14,24H,15H2,1-2H3,(H,25,28)(H2,26,27,30)
InChIKey
YAZCPQJGXRBHQJ-UHFFFAOYSA-N
Compound name
N-[4-[[2-(benzylamino)-4-methoxyphenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

420.162 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16928 198.9
[M+Na]+ 443.15122 202.1
[M-H]- 419.15472 207.7
[M+NH4]+ 438.19582 207.7
[M+K]+ 459.12516 195.9
[M+H-H2O]+ 403.15926 188.4
[M+HCOO]- 465.16020 219.0
[M+CH3COO]- 479.17585 234.6
[M+Na-2H]- 441.13667 200.9
[M]+ 420.16145 199.0
[M]- 420.16255 199.0
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