CID 3067952

Thiourea, n-(2-(ethenyloxy)ethyl)-n'-phenyl-

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C=COCCNC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C11H14N2OS/c1-2-14-9-8-12-11(15)13-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,15)
InChIKey
DQNMYXFLSBXPAY-UHFFFAOYSA-N
Compound name
1-(2-ethenoxyethyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 148.9
[M+Na]+ 245.07191 154.3
[M-H]- 221.07541 152.1
[M+NH4]+ 240.11651 167.0
[M+K]+ 261.04585 150.3
[M+H-H2O]+ 205.07995 141.9
[M+HCOO]- 267.08089 169.0
[M+CH3COO]- 281.09654 190.7
[M+Na-2H]- 243.05736 152.5
[M]+ 222.08214 149.3
[M]- 222.08324 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe