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

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 165.0
[M+Na]+ 303.09264 172.5
[M-H]- 279.09614 174.4
[M+NH4]+ 298.13724 182.4
[M+K]+ 319.06658 167.0
[M+H-H2O]+ 263.10068 156.5
[M+HCOO]- 325.10162 187.7
[M+CH3COO]- 339.11727 208.9
[M+Na-2H]- 301.07809 167.7
[M]+ 280.10287 167.5
[M]- 280.10397 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