CID 4499003

167781-43-3

Structural Information

Molecular Formula
C24H20N2OS
SMILES
CN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=S)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2OS/c1-26(24(28)25-23(27)17-9-3-2-4-10-17)16-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-15H,16H2,1H3,(H,25,27,28)
InChIKey
XYAXWYSMSAAWKE-UHFFFAOYSA-N
Compound name
N-[anthracen-9-ylmethyl(methyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.12964 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13692 188.2
[M+Na]+ 407.11886 203.7
[M+NH4]+ 402.16346 197.9
[M+K]+ 423.09280 192.0
[M-H]- 383.12236 196.2
[M+Na-2H]- 405.10431 198.8
[M]+ 384.12909 193.4
[M]- 384.13019 193.4
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