CID 10360469

Chembl541629

Structural Information

Molecular Formula
C23H31N3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CNCCCCNCCCCN
InChI
InChI=1S/C23H31N3/c24-13-5-6-14-25-15-7-8-16-26-18-23-21-11-3-1-9-19(21)17-20-10-2-4-12-22(20)23/h1-4,9-12,17,25-26H,5-8,13-16,18,24H2
InChIKey
UNVARUKLODXTBJ-UHFFFAOYSA-N
Compound name
N'-[4-(anthracen-9-ylmethylamino)butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

349.2518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.25908 183.2
[M+Na]+ 372.24102 187.5
[M-H]- 348.24452 186.7
[M+NH4]+ 367.28562 197.3
[M+K]+ 388.21496 180.4
[M+H-H2O]+ 332.24906 174.1
[M+HCOO]- 394.25000 206.4
[M+CH3COO]- 408.26565 224.7
[M+Na-2H]- 370.22647 190.5
[M]+ 349.25125 184.6
[M]- 349.25235 184.6
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