CID 3061952

Brn 0867340

Structural Information

Molecular Formula
C26H31N3O3
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C(C)C)OC)OC)C
InChI
InChI=1S/C26H31N3O3/c1-15(2)29-24(27-25-17(4)10-16(3)11-18(25)5)14-21-20-13-23(32-7)22(31-6)12-19(20)8-9-28(21)26(29)30/h10-15H,8-9H2,1-7H3
InChIKey
ZVGPHEIZESYWTE-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3-propan-2-yl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

433.23654 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.24382 211.3
[M+Na]+ 456.22576 221.3
[M-H]- 432.22926 218.9
[M+NH4]+ 451.27036 221.4
[M+K]+ 472.19970 215.8
[M+H-H2O]+ 416.23380 199.6
[M+HCOO]- 478.23474 228.4
[M+CH3COO]- 492.25039 242.3
[M+Na-2H]- 454.21121 211.1
[M]+ 433.23599 217.8
[M]- 433.23709 217.8
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