CID 86627

Nsc 218427

Structural Information

Molecular Formula
C17H16N2S
SMILES
CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N=C=S
InChI
InChI=1S/C17H16N2S/c1-19(2)17-11-7-15(8-12-17)4-3-14-5-9-16(10-6-14)18-13-20/h3-12H,1-2H3
InChIKey
AELFAHXWAPNOLB-UHFFFAOYSA-N
Compound name
4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

280.10342 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11070 166.0
[M+Na]+ 303.09264 179.8
[M+NH4]+ 298.13724 175.2
[M+K]+ 319.06658 168.5
[M-H]- 279.09614 172.8
[M+Na-2H]- 301.07809 175.8
[M]+ 280.10287 170.5
[M]- 280.10397 170.5
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