CID 136276642

1177261-73-2

Structural Information

Molecular Formula
C19H24N4O5
SMILES
COC1=C(C=C2C(=C1)C(=O)NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)OC
InChI
InChI=1S/C19H24N4O5/c1-26-15-10-12-13(11-16(15)27-2)20-19(21-17(12)24)23-7-5-22(6-8-23)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H,20,21,24)
InChIKey
SOPCVLMNPKFJKQ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17468 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18196 192.3
[M+Na]+ 411.16390 197.7
[M-H]- 387.16740 196.4
[M+NH4]+ 406.20850 198.2
[M+K]+ 427.13784 194.4
[M+H-H2O]+ 371.17194 181.0
[M+HCOO]- 433.17288 201.8
[M+CH3COO]- 447.18853 199.5
[M+Na-2H]- 409.14935 190.4
[M]+ 388.17413 190.5
[M]- 388.17523 190.5
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.