CID 209806

20491-21-8

Structural Information

Molecular Formula
C12H17N2PS
SMILES
C=CCNP(=S)(C1=CC=CC=C1)NCC=C
InChI
InChI=1S/C12H17N2PS/c1-3-10-13-15(16,14-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H2,13,14,16)
InChIKey
ZIDKSHYZVSCZIT-UHFFFAOYSA-N
Compound name
N-[phenyl-(prop-2-enylamino)phosphinothioyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09228 156.9
[M+Na]+ 275.07422 162.0
[M-H]- 251.07772 158.6
[M+NH4]+ 270.11882 174.2
[M+K]+ 291.04816 156.5
[M+H-H2O]+ 235.08226 147.6
[M+HCOO]- 297.08320 181.4
[M+CH3COO]- 311.09885 198.5
[M+Na-2H]- 273.05967 157.8
[M]+ 252.08445 156.8
[M]- 252.08555 156.8
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.