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]+ 292.169596 169.1
[M+Na]+ 314.151538 177.4
[M-H]- 290.155044 176.1
[M+NH4]+ 309.196143 187.0
[M+K]+ 330.125478 171.3
[M+H-H2O]+ 274.159580 160.3
[M+HCOO]- 336.160521 189.1
[M+CH3COO]- 350.176171 180.7
[M+Na-2H]- 312.136986 173.6
[M]+ 291.16177142 169.9
[M]- 291.16286858 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.