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

0
Patents

220.06703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 148.0
[M+Na]+ 243.056248 154.5
[M-H]- 219.059754 151.6
[M+NH4]+ 238.100853 166.3
[M+K]+ 259.030188 149.9
[M+H-H2O]+ 203.064290 141.3
[M+HCOO]- 265.065231 168.2
[M+CH3COO]- 279.080881 191.0
[M+Na-2H]- 241.041696 150.8
[M]+ 220.06648142 148.1
[M]- 220.06757858 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