CID 24209059

882863-99-2

Structural Information

Molecular Formula
C18H17N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)NCC(CN3C=NC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C18H17N3O4/c22-13(8-19-12-5-6-16-17(7-12)25-11-24-16)9-21-10-20-15-4-2-1-3-14(15)18(21)23/h1-7,10,13,19,22H,8-9,11H2
InChIKey
FPVBNEGQDNSPQP-UHFFFAOYSA-N
Compound name
3-[3-(1,3-benzodioxol-5-ylamino)-2-hydroxypropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.129196 175.9
[M+Na]+ 362.111138 183.5
[M-H]- 338.114644 181.9
[M+NH4]+ 357.155743 186.4
[M+K]+ 378.085078 180.8
[M+H-H2O]+ 322.119180 166.7
[M+HCOO]- 384.120121 192.5
[M+CH3COO]- 398.135771 186.1
[M+Na-2H]- 360.096586 181.9
[M]+ 339.12137142 178.5
[M]- 339.12246858 178.5
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.