CID 212543

9-(3-dimethylaminopropyl)selenoxanthene hydrogen maleate

Structural Information

Molecular Formula
C18H21NSe
SMILES
CN(C)CCCC1C2=CC=CC=C2[Se]C3=CC=CC=C13
InChI
InChI=1S/C18H21NSe/c1-19(2)13-7-10-14-15-8-3-5-11-17(15)20-18-12-6-4-9-16(14)18/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3
InChIKey
XKUIXQSWSTZXJP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(9H-selenoxanthen-9-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08392 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09120 175.0
[M+Na]+ 354.07314 180.3
[M-H]- 330.07664 180.2
[M+NH4]+ 349.11774 193.3
[M+K]+ 370.04708 175.6
[M+H-H2O]+ 314.08118 166.2
[M+HCOO]- 376.08212 195.1
[M+CH3COO]- 390.09777 209.6
[M+Na-2H]- 352.05859 179.9
[M]+ 331.08337 175.4
[M]- 331.08447 175.4
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.