CID 6445196

Cis-2-chloro-9-(3-dimethylaminopropylidene)selenoxanthene hydrochloride

Structural Information

Molecular Formula
C18H18ClNSe
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2[Se]C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNSe/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+
InChIKey
ABKXCPGXAVWIPL-VGOFMYFVSA-N
Compound name
(3E)-3-(2-chloroselenoxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0293 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03658 178.6
[M+Na]+ 386.01852 194.4
[M+NH4]+ 381.06312 189.3
[M+K]+ 401.99246 182.9
[M-H]- 362.02202 184.3
[M+Na-2H]- 384.00397 185.5
[M]+ 363.02875 183.0
[M]- 363.02985 183.0
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.