CID 25382

Melitracene

Structural Information

Molecular Formula
C21H25N
SMILES
CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C
InChI
InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3
InChIKey
GWWLWDURRGNSRS-UHFFFAOYSA-N
Compound name
3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

35
References

4585
Patents

291.1987 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 171.7
[M+Na]+ 314.18792 179.0
[M-H]- 290.19142 177.9
[M+NH4]+ 309.23252 192.0
[M+K]+ 330.16186 173.8
[M+H-H2O]+ 274.19596 163.8
[M+HCOO]- 336.19690 192.0
[M+CH3COO]- 350.21255 212.5
[M+Na-2H]- 312.17337 177.0
[M]+ 291.19815 172.7
[M]- 291.19925 172.7
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.