CID 151310

Acridine monomer

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CN(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C19H22ClN3O/c1-23(2)10-4-9-21-19-15-7-5-13(20)11-18(15)22-17-8-6-14(24-3)12-16(17)19/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22)
InChIKey
WBFCDJTXHXSTJK-UHFFFAOYSA-N
Compound name
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

31
Patents

343.14514 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 181.1
[M+Na]+ 366.13436 190.5
[M-H]- 342.13786 186.4
[M+NH4]+ 361.17896 196.7
[M+K]+ 382.10830 184.8
[M+H-H2O]+ 326.14240 172.5
[M+HCOO]- 388.14334 199.9
[M+CH3COO]- 402.15899 222.2
[M+Na-2H]- 364.11981 187.9
[M]+ 343.14459 188.9
[M]- 343.14569 188.9
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