CID 368319

Nsc639016

Structural Information

Molecular Formula
C20H26N4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCN)CNCCN
InChI
InChI=1S/C20H26N4/c21-9-11-23-13-19-15-5-1-2-6-16(15)20(14-24-12-10-22)18-8-4-3-7-17(18)19/h1-8,23-24H,9-14,21-22H2
InChIKey
DUOBHOQMGPIAHC-UHFFFAOYSA-N
Compound name
N'-[[10-[(2-aminoethylamino)methyl]anthracen-9-yl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.21576 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22304 172.7
[M+Na]+ 345.20498 178.6
[M-H]- 321.20848 176.8
[M+NH4]+ 340.24958 187.7
[M+K]+ 361.17892 172.1
[M+H-H2O]+ 305.21302 164.2
[M+HCOO]- 367.21396 197.4
[M+CH3COO]- 381.22961 221.8
[M+Na-2H]- 343.19043 180.5
[M]+ 322.21521 172.1
[M]- 322.21631 172.1
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

No patent data available for this compound.