CID 470835

Cgp 73637a

Structural Information

Molecular Formula
C22H31N5
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCN(CCCCN)CCCN
InChI
InChI=1S/C22H31N5/c23-12-5-6-15-27(16-7-13-24)17-14-25-22-18-8-1-3-10-20(18)26-21-11-4-2-9-19(21)22/h1-4,8-11H,5-7,12-17,23-24H2,(H,25,26)
InChIKey
NAZYLIVFTPNUJF-UHFFFAOYSA-N
Compound name
N'-[2-(acridin-9-ylamino)ethyl]-N'-(3-aminopropyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.25793 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.26521 186.3
[M+Na]+ 388.24715 190.3
[M-H]- 364.25065 189.5
[M+NH4]+ 383.29175 198.4
[M+K]+ 404.22109 184.5
[M+H-H2O]+ 348.25519 176.0
[M+HCOO]- 410.25613 209.5
[M+CH3COO]- 424.27178 232.2
[M+Na-2H]- 386.23260 193.3
[M]+ 365.25738 187.5
[M]- 365.25848 187.5
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.