CID 15954842

Schembl6810795

Structural Information

Molecular Formula
C19H23ClN4OS
SMILES
CCN(CC)C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C19H23ClN4OS/c1-4-24(5-2)18-11-10-16(12-17(18)20)23-19(26)22-15-8-6-14(7-9-15)21-13(3)25/h6-12H,4-5H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKey
VRAIMOGNYDZQGZ-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

390.1281 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13538 193.7
[M+Na]+ 413.11732 198.2
[M-H]- 389.12082 201.2
[M+NH4]+ 408.16192 206.0
[M+K]+ 429.09126 192.4
[M+H-H2O]+ 373.12536 185.4
[M+HCOO]- 435.12630 209.4
[M+CH3COO]- 449.14195 231.2
[M+Na-2H]- 411.10277 193.0
[M]+ 390.12755 197.1
[M]- 390.12865 197.1
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