CID 3065582

108445-72-3

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CC1CN2C(=CC(=NC3=CC=CC=C3)N(C2=O)C)C4=CC(=C(C=C14)OC)OC
InChI
InChI=1S/C22H23N3O3/c1-14-13-25-18(17-11-20(28-4)19(27-3)10-16(14)17)12-21(24(2)22(25)26)23-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3
InChIKey
QNFYVNQPGWKDCX-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3,7-dimethyl-2-phenylimino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.17395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 192.7
[M+Na]+ 400.16317 203.3
[M-H]- 376.16667 200.4
[M+NH4]+ 395.20777 204.7
[M+K]+ 416.13711 197.7
[M+H-H2O]+ 360.17121 181.1
[M+HCOO]- 422.17215 212.5
[M+CH3COO]- 436.18780 203.2
[M+Na-2H]- 398.14862 197.2
[M]+ 377.17340 197.7
[M]- 377.17450 197.7
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

patents stripe