CID 60242

N,n'-bis(2-(dimethylamino)ethyl)-9,10-anthracenebis(methylamine)

Structural Information

Molecular Formula
C24H34N4
SMILES
CN(C)CCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCN(C)C
InChI
InChI=1S/C24H34N4/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23/h5-12,25-26H,13-18H2,1-4H3
InChIKey
NQNIIYOBGWAPDR-UHFFFAOYSA-N
Compound name
N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

45
Patents

378.27835 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28563 195.1
[M+Na]+ 401.26757 199.0
[M-H]- 377.27107 201.9
[M+NH4]+ 396.31217 209.3
[M+K]+ 417.24151 195.0
[M+H-H2O]+ 361.27561 184.9
[M+HCOO]- 423.27655 220.3
[M+CH3COO]- 437.29220 241.0
[M+Na-2H]- 399.25302 200.6
[M]+ 378.27780 199.7
[M]- 378.27890 199.7
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