CID 410419

Nsc 285668

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
CC(CCNCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O
InChI
InChI=1S/C21H26ClN3O2/c1-14(26)8-11-23-9-3-10-24-21-17-6-4-15(22)12-20(17)25-19-7-5-16(27-2)13-18(19)21/h4-7,12-14,23,26H,3,8-11H2,1-2H3,(H,24,25)
InChIKey
RYAXTIKEXIPLPG-UHFFFAOYSA-N
Compound name
4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propylamino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

387.17136 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 191.6
[M+Na]+ 410.16058 199.1
[M-H]- 386.16408 193.9
[M+NH4]+ 405.20518 203.9
[M+K]+ 426.13452 192.2
[M+H-H2O]+ 370.16862 183.3
[M+HCOO]- 432.16956 207.0
[M+CH3COO]- 446.18521 225.5
[M+Na-2H]- 408.14603 196.9
[M]+ 387.17081 198.0
[M]- 387.17191 198.0
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