CID 3057572

74051-50-6

Structural Information

Molecular Formula
C14H21N3S
SMILES
CCN(CC)C1=CC=C(C=C1)NC(=S)NCC=C
InChI
InChI=1S/C14H21N3S/c1-4-11-15-14(18)16-12-7-9-13(10-8-12)17(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3,(H2,15,16,18)
InChIKey
DCTXKKYEFSTWBW-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)phenyl]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14563 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15291 163.9
[M+Na]+ 286.13485 172.6
[M+NH4]+ 281.17945 171.6
[M+K]+ 302.10879 163.9
[M-H]- 262.13835 167.6
[M+Na-2H]- 284.12030 169.1
[M]+ 263.14508 166.4
[M]- 263.14618 166.4
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

No patent data available for this compound.