CID 470828

Gnf-pf-5020

Structural Information

Molecular Formula
C24H34ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCCN)CCCN
InChI
InChI=1S/C24H34ClN5O/c1-31-19-7-9-22-21(17-19)24(20-8-6-18(25)16-23(20)29-22)28-12-5-15-30(14-4-11-27)13-3-2-10-26/h6-9,16-17H,2-5,10-15,26-27H2,1H3,(H,28,29)
InChIKey
BIGAHIIWPDZJMX-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

443.24518 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.25246 208.8
[M+Na]+ 466.23440 214.3
[M-H]- 442.23790 212.0
[M+NH4]+ 461.27900 219.1
[M+K]+ 482.20834 207.4
[M+H-H2O]+ 426.24244 199.0
[M+HCOO]- 488.24338 226.8
[M+CH3COO]- 502.25903 246.0
[M+Na-2H]- 464.21985 212.5
[M]+ 443.24463 215.2
[M]- 443.24573 215.2
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