CID 86627

Benzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-n,n-dimethyl-

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

54
Patents

280.10342 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.110696 165.0
[M+Na]+ 303.092638 172.5
[M-H]- 279.096144 174.4
[M+NH4]+ 298.137243 182.4
[M+K]+ 319.066578 167.0
[M+H-H2O]+ 263.100680 156.5
[M+HCOO]- 325.101621 187.7
[M+CH3COO]- 339.117271 208.9
[M+Na-2H]- 301.078086 167.7
[M]+ 280.10287142 167.5
[M]- 280.10396858 167.5
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