CID 10159793

Schembl6811835

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC
InChI
InChI=1S/C24H22N4O2S/c1-16(18-9-7-17(15-25)8-10-18)26-24(31)28-20-13-11-19(12-14-20)27-23(29)21-5-3-4-6-22(21)30-2/h3-14,16H,1-2H3,(H,27,29)(H2,26,28,31)
InChIKey
TVATXXIZGDVIGL-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

430.14636 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15364 216.9
[M+Na]+ 453.13558 222.8
[M-H]- 429.13908 223.6
[M+NH4]+ 448.18018 224.2
[M+K]+ 469.10952 215.6
[M+H-H2O]+ 413.14362 200.5
[M+HCOO]- 475.14456 230.6
[M+CH3COO]- 489.16021 240.9
[M+Na-2H]- 451.12103 214.9
[M]+ 430.14581 211.6
[M]- 430.14691 211.6
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