CID 25382

Melitracen

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

4647
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

literature stripe

Patent stripe

patents stripe