CID 6857912

(e)-n-methyldibenzo(b,e)selenepin-delta(sup 11(6h),gamma)-propylamine hydrochloride

Structural Information

Molecular Formula
C18H19NSe
SMILES
CNCC/C=C\1/C2=CC=CC=C2C[Se]C3=CC=CC=C31
InChI
InChI=1S/C18H19NSe/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
InChIKey
YQKNSSMKKBIPBL-YBEGLDIGSA-N
Compound name
(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.06827 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07555 172.1
[M+Na]+ 352.05749 176.9
[M-H]- 328.06099 177.5
[M+NH4]+ 347.10209 189.1
[M+K]+ 368.03143 174.6
[M+H-H2O]+ 312.06553 166.2
[M+HCOO]- 374.06647 191.6
[M+CH3COO]- 388.08212 182.1
[M+Na-2H]- 350.04294 177.6
[M]+ 329.06772 167.9
[M]- 329.06882 167.9
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.