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 163.0
[M+Na]+ 286.13485 167.2
[M-H]- 262.13835 167.3
[M+NH4]+ 281.17945 179.9
[M+K]+ 302.10879 163.4
[M+H-H2O]+ 246.14289 155.1
[M+HCOO]- 308.14383 183.1
[M+CH3COO]- 322.15948 207.3
[M+Na-2H]- 284.12030 164.0
[M]+ 263.14508 163.9
[M]- 263.14618 163.9
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.