CID 368323

Nsc639018

Structural Information

Molecular Formula
C24H36N6
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCNCCN)CNCCNCCN
InChI
InChI=1S/C24H36N6/c25-9-11-27-13-15-29-17-23-19-5-1-2-6-20(19)24(18-30-16-14-28-12-10-26)22-8-4-3-7-21(22)23/h1-8,27-30H,9-18,25-26H2
InChIKey
SLYMIILEPURRQM-UHFFFAOYSA-N
Compound name
N'-[2-[[10-[[2-(2-aminoethylamino)ethylamino]methyl]anthracen-9-yl]methylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.30014 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.30742 189.3
[M+Na]+ 431.28936 191.7
[M-H]- 407.29286 192.4
[M+NH4]+ 426.33396 200.0
[M+K]+ 447.26330 185.3
[M+H-H2O]+ 391.29740 179.5
[M+HCOO]- 453.29834 214.6
[M+CH3COO]- 467.31399 244.2
[M+Na-2H]- 429.27481 196.9
[M]+ 408.29959 188.8
[M]- 408.30069 188.8
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.