CID 511175

Schembl4097108

Structural Information

Molecular Formula
C24H32ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCN
InChI
InChI=1S/C24H32ClN5O/c1-31-19-5-7-22-21(17-19)24(20-6-4-18(25)16-23(20)28-22)27-9-3-11-30-14-12-29(13-15-30)10-2-8-26/h4-7,16-17H,2-3,8-15,26H2,1H3,(H,27,28)
InChIKey
BGRGIQMKRZGCPC-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-6-chloro-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

441.22955 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.23683 208.6
[M+Na]+ 464.21877 214.7
[M-H]- 440.22227 210.9
[M+NH4]+ 459.26337 215.9
[M+K]+ 480.19271 206.0
[M+H-H2O]+ 424.22681 196.4
[M+HCOO]- 486.22775 218.7
[M+CH3COO]- 500.24340 214.8
[M+Na-2H]- 462.20422 211.7
[M]+ 441.22900 210.3
[M]- 441.23010 210.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe