CID 391393

Nsc690566

Structural Information

Molecular Formula
C19H18Cl2N2O
SMILES
C1CCC(CC1)NC2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O/c20-13-10-14(21)18-16(17(13)22-11-6-2-1-3-7-11)19(24)12-8-4-5-9-15(12)23-18/h4-5,8-11,22H,1-3,6-7H2,(H,23,24)
InChIKey
XKDPBQFHVVRYSL-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(cyclohexylamino)-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.07962 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08690 179.7
[M+Na]+ 383.06884 189.4
[M-H]- 359.07234 184.3
[M+NH4]+ 378.11344 193.6
[M+K]+ 399.04278 180.2
[M+H-H2O]+ 343.07688 171.8
[M+HCOO]- 405.07782 187.7
[M+CH3COO]- 419.09347 189.2
[M+Na-2H]- 381.05429 184.3
[M]+ 360.07907 179.7
[M]- 360.08017 179.7
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

No patent data available for this compound.