CID 470830

Cgp 73638a

Structural Information

Molecular Formula
C20H25N5O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCCN(CCN)CCN
InChI
InChI=1S/C20H25N5O/c21-9-12-25(13-10-22)14-11-23-20(26)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-8H,9-14,21-22H2,(H,23,26)
InChIKey
FCQOWNOYUGXXHE-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.2059 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 181.2
[M+Na]+ 374.19512 186.0
[M-H]- 350.19862 185.0
[M+NH4]+ 369.23972 193.7
[M+K]+ 390.16906 181.4
[M+H-H2O]+ 334.20316 171.4
[M+HCOO]- 396.20410 204.5
[M+CH3COO]- 410.21975 228.1
[M+Na-2H]- 372.18057 188.1
[M]+ 351.20535 181.8
[M]- 351.20645 181.8
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.