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]+ 340.12920 175.9
[M+Na]+ 362.11114 183.5
[M-H]- 338.11464 181.9
[M+NH4]+ 357.15574 186.4
[M+K]+ 378.08508 180.8
[M+H-H2O]+ 322.11918 166.7
[M+HCOO]- 384.12012 192.5
[M+CH3COO]- 398.13577 186.1
[M+Na-2H]- 360.09659 181.9
[M]+ 339.12137 178.5
[M]- 339.12247 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.