CID 245074

7597-12-8

Structural Information

Molecular Formula
C25H34ClN3O
SMILES
CCN(CC)CCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C25H34ClN3O/c1-4-29(5-2)16-10-8-6-7-9-15-27-25-21-13-11-19(26)17-24(21)28-23-14-12-20(30-3)18-22(23)25/h11-14,17-18H,4-10,15-16H2,1-3H3,(H,27,28)
InChIKey
XDESOPZVFRSNRT-UHFFFAOYSA-N
Compound name
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylheptane-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

427.23904 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.24632 208.7
[M+Na]+ 450.22826 215.4
[M-H]- 426.23176 212.7
[M+NH4]+ 445.27286 220.8
[M+K]+ 466.20220 208.3
[M+H-H2O]+ 410.23630 198.7
[M+HCOO]- 472.23724 225.4
[M+CH3COO]- 486.25289 239.6
[M+Na-2H]- 448.21371 212.2
[M]+ 427.23849 218.4
[M]- 427.23959 218.4
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