CID 212545

9-(3-methylaminopropylidene)selenoxanthene hydrochloride

Structural Information

Molecular Formula
C17H17NSe
SMILES
CNCCC=C1C2=CC=CC=C2[Se]C3=CC=CC=C31
InChI
InChI=1S/C17H17NSe/c1-18-12-6-9-13-14-7-2-4-10-16(14)19-17-11-5-3-8-15(13)17/h2-5,7-11,18H,6,12H2,1H3
InChIKey
SJNDXNHXDDDXQT-UHFFFAOYSA-N
Compound name
N-methyl-3-selenoxanthen-9-ylidenepropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05988 168.4
[M+Na]+ 338.04182 174.5
[M-H]- 314.04532 172.5
[M+NH4]+ 333.08642 186.8
[M+K]+ 354.01576 168.1
[M+H-H2O]+ 298.04986 160.2
[M+HCOO]- 360.05080 188.6
[M+CH3COO]- 374.06645 179.0
[M+Na-2H]- 336.02727 174.8
[M]+ 315.05205 166.6
[M]- 315.05315 166.6
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.