CID 766937

6281-64-7

Structural Information

Molecular Formula
C16H17N3OS
SMILES
CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H17N3OS/c1-19(2)14-10-8-13(9-11-14)17-16(21)18-15(20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,20,21)
InChIKey
KLFUYYZGYDCQSZ-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)phenyl]carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

299.10922 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 169.7
[M+Na]+ 322.09844 174.2
[M-H]- 298.10194 177.4
[M+NH4]+ 317.14304 184.6
[M+K]+ 338.07238 170.4
[M+H-H2O]+ 282.10648 161.0
[M+HCOO]- 344.10742 190.1
[M+CH3COO]- 358.12307 211.2
[M+Na-2H]- 320.08389 171.7
[M]+ 299.10867 169.7
[M]- 299.10977 169.7
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