CID 40510

2-methoxy-1-pyrrolidinylmethylanthracene hydrochloride

Structural Information

Molecular Formula
C20H21NO
SMILES
COC1=C(C2=CC3=CC=CC=C3C=C2C=C1)CN4CCCC4
InChI
InChI=1S/C20H21NO/c1-22-20-9-8-17-12-15-6-2-3-7-16(15)13-18(17)19(20)14-21-10-4-5-11-21/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKey
KAUGRQXRDNRMSE-UHFFFAOYSA-N
Compound name
1-[(2-methoxyanthracen-1-yl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 169.1
[M+Na]+ 314.15154 177.4
[M-H]- 290.15504 176.1
[M+NH4]+ 309.19614 187.0
[M+K]+ 330.12548 171.3
[M+H-H2O]+ 274.15958 160.3
[M+HCOO]- 336.16052 189.1
[M+CH3COO]- 350.17617 180.7
[M+Na-2H]- 312.13699 173.6
[M]+ 291.16177 169.9
[M]- 291.16287 169.9
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.