CID 3034608

Urea, 1-allyl-3-(2-formylphenyl)-2-thio-

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C=CCNC(=S)NC1=CC=CC=C1C=O
InChI
InChI=1S/C11H12N2OS/c1-2-7-12-11(15)13-10-6-4-3-5-9(10)8-14/h2-6,8H,1,7H2,(H2,12,13,15)
InChIKey
SAONPZIJOUYLKC-UHFFFAOYSA-N
Compound name
1-(2-formylphenyl)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.06703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 148.0
[M+Na]+ 243.05625 154.5
[M-H]- 219.05975 151.6
[M+NH4]+ 238.10085 166.3
[M+K]+ 259.03019 149.9
[M+H-H2O]+ 203.06429 141.3
[M+HCOO]- 265.06523 168.2
[M+CH3COO]- 279.08088 191.0
[M+Na-2H]- 241.04170 150.8
[M]+ 220.06648 148.1
[M]- 220.06758 148.1
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