CID 11208207

Chembl558390

Structural Information

Molecular Formula
C19H22N2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CNCCCCN
InChI
InChI=1S/C19H22N2/c20-11-5-6-12-21-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19/h1-4,7-10,13,21H,5-6,11-12,14,20H2
InChIKey
SPEOYQLVFAZKPA-UHFFFAOYSA-N
Compound name
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

278.17828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 163.9
[M+Na]+ 301.16750 171.0
[M-H]- 277.17100 168.4
[M+NH4]+ 296.21210 181.4
[M+K]+ 317.14144 164.5
[M+H-H2O]+ 261.17554 155.9
[M+HCOO]- 323.17648 187.6
[M+CH3COO]- 337.19213 175.2
[M+Na-2H]- 299.15295 172.6
[M]+ 278.17773 164.6
[M]- 278.17883 164.6
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