CID 470840

Cgp 74360a

Structural Information

Molecular Formula
C24H34ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCN(CCCN)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)28-12-2-3-13-30(14-4-10-26)15-5-11-27/h6-9,16-17H,2-5,10-15,26-27H2,1H3,(H,28,29)
InChIKey
CHCRIFPSAWBXQP-UHFFFAOYSA-N
Compound name
N',N'-bis(3-aminopropyl)-N-(6-chloro-2-methoxyacridin-9-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.