CID 362100

Nsc625628

Structural Information

Molecular Formula
C25H34ClN3O
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=C(C2=NC3=C1C=CC(=C3C)Cl)C)OC
InChI
InChI=1S/C25H34ClN3O/c1-7-29(8-2)13-9-10-17(4)27-25-20-11-12-22(26)18(5)24(20)28-23-16(3)14-19(30-6)15-21(23)25/h11-12,14-15,17H,7-10,13H2,1-6H3,(H,27,28)
InChIKey
YVKWDYYNICMEEA-UHFFFAOYSA-N
Compound name
4-N-(6-chloro-2-methoxy-4,5-dimethylacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.23904 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.24632 210.2
[M+Na]+ 450.22826 218.3
[M-H]- 426.23176 215.1
[M+NH4]+ 445.27286 222.8
[M+K]+ 466.20220 212.1
[M+H-H2O]+ 410.23630 201.0
[M+HCOO]- 472.23724 225.7
[M+CH3COO]- 486.25289 243.1
[M+Na-2H]- 448.21371 211.0
[M]+ 427.23849 220.1
[M]- 427.23959 220.1
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

No patent data available for this compound.