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

242
Patents

284.1347 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.141976 167.8
[M+Na]+ 307.123918 172.2
[M-H]- 283.127424 176.5
[M+NH4]+ 302.168523 184.4
[M+K]+ 323.097858 169.1
[M+H-H2O]+ 267.131960 159.0
[M+HCOO]- 329.132901 188.0
[M+CH3COO]- 343.148551 210.0
[M+Na-2H]- 305.109366 169.7
[M]+ 284.13415142 169.8
[M]- 284.13524858 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