CID 20346

Carbanilide, 2,2'-diethylthio-

Structural Information

Molecular Formula
C17H20N2S
SMILES
CCN(C1=CC=CC=C1)C(=S)N(CC)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2S/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey
VPZPJKCEYBMGLL-UHFFFAOYSA-N
Compound name
1,3-diethyl-1,3-diphenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

284.1347 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 167.8
[M+Na]+ 307.12392 172.2
[M-H]- 283.12742 176.5
[M+NH4]+ 302.16852 184.4
[M+K]+ 323.09786 169.1
[M+H-H2O]+ 267.13196 159.0
[M+HCOO]- 329.13290 188.0
[M+CH3COO]- 343.14855 210.0
[M+Na-2H]- 305.10937 169.7
[M]+ 284.13415 169.8
[M]- 284.13525 169.8
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