CID 101742

522-20-3

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
CCN(CC)CC(CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O
InChI
InChI=1S/C21H26ClN3O2/c1-4-25(5-2)13-15(26)12-23-21-17-8-6-14(22)10-20(17)24-19-9-7-16(27-3)11-18(19)21/h6-11,15,26H,4-5,12-13H2,1-3H3,(H,23,24)
InChIKey
UDDPPYHULIXFDV-UHFFFAOYSA-N
Compound name
1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

454
Patents

387.17136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 192.5
[M+Na]+ 410.16058 200.1
[M-H]- 386.16408 196.2
[M+NH4]+ 405.20518 205.5
[M+K]+ 426.13452 194.5
[M+H-H2O]+ 370.16862 184.0
[M+HCOO]- 432.16956 208.4
[M+CH3COO]- 446.18521 228.7
[M+Na-2H]- 408.14603 197.0
[M]+ 387.17081 200.1
[M]- 387.17191 200.1
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

patents stripe