CID 15954888

Schembl6819492

Structural Information

Molecular Formula
C17H17ClN4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C17H17ClN4O2S/c1-10(23)19-12-3-5-13(6-4-12)21-17(25)22-14-7-8-16(15(18)9-14)20-11(2)24/h3-9H,1-2H3,(H,19,23)(H,20,24)(H2,21,22,25)
InChIKey
VWCTZRSFGUVPPG-UHFFFAOYSA-N
Compound name
N-[4-[(4-acetamido-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

376.07608 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08336 187.0
[M+Na]+ 399.06530 192.1
[M-H]- 375.06880 193.6
[M+NH4]+ 394.10990 199.1
[M+K]+ 415.03924 186.0
[M+H-H2O]+ 359.07334 179.4
[M+HCOO]- 421.07428 202.4
[M+CH3COO]- 435.08993 224.0
[M+Na-2H]- 397.05075 187.2
[M]+ 376.07553 188.6
[M]- 376.07663 188.6
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