CID 3065608

108445-85-8

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
CC1CN2C(=CC(=NC3=C(C=CC=C3Cl)C)N(C2=O)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C23H24ClN3O3/c1-13-7-6-8-17(24)22(13)25-21-11-18-16-10-20(30-5)19(29-4)9-15(16)14(2)12-27(18)23(28)26(21)3/h6-11,14H,12H2,1-5H3
InChIKey
RIULATBXVGDJHM-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-methylphenyl)imino-9,10-dimethoxy-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

425.1506 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 202.7
[M+Na]+ 448.13982 221.4
[M+NH4]+ 443.18442 210.4
[M+K]+ 464.11376 211.2
[M-H]- 424.14332 208.5
[M+Na-2H]- 446.12527 209.5
[M]+ 425.15005 207.6
[M]- 425.15115 207.6
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