CID 40506

1-(dimethylamino)methyl-2-methoxyanthracene hydrochloride

Structural Information

Molecular Formula
C18H19NO
SMILES
CN(C)CC1=C(C=CC2=CC3=CC=CC=C3C=C21)OC
InChI
InChI=1S/C18H19NO/c1-19(2)12-17-16-11-14-7-5-4-6-13(14)10-15(16)8-9-18(17)20-3/h4-11H,12H2,1-3H3
InChIKey
JMFGORCFPURXMF-UHFFFAOYSA-N
Compound name
1-(2-methoxyanthracen-1-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 160.7
[M+Na]+ 288.13589 169.9
[M-H]- 264.13939 167.9
[M+NH4]+ 283.18049 180.2
[M+K]+ 304.10983 166.1
[M+H-H2O]+ 248.14393 152.9
[M+HCOO]- 310.14487 184.9
[M+CH3COO]- 324.16052 173.9
[M+Na-2H]- 286.12134 168.8
[M]+ 265.14612 165.6
[M]- 265.14722 165.6
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.