CID 511176

Schembl17423294

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CC(C)(CN)CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C19H22ClN3O/c1-19(2,10-21)11-22-18-14-6-4-12(20)8-17(14)23-16-7-5-13(24-3)9-15(16)18/h4-9H,10-11,21H2,1-3H3,(H,22,23)
InChIKey
LMFXAZUXTDHAEX-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)-2,2-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.14514 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 183.1
[M+Na]+ 366.13436 192.9
[M-H]- 342.13786 186.9
[M+NH4]+ 361.17896 198.0
[M+K]+ 382.10830 186.1
[M+H-H2O]+ 326.14240 175.5
[M+HCOO]- 388.14334 199.2
[M+CH3COO]- 402.15899 218.9
[M+Na-2H]- 364.11981 190.4
[M]+ 343.14459 188.3
[M]- 343.14569 188.3
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