CID 115723

Gamma-dichroine

Structural Information

Molecular Formula
C16H19N3O3
SMILES
C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2
InChIKey
FWVHWDSCPKXMDB-UHFFFAOYSA-N
Compound name
3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

84
References

453
Patents

301.14264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 170.8
[M+Na]+ 324.13186 176.6
[M-H]- 300.13536 170.8
[M+NH4]+ 319.17646 180.8
[M+K]+ 340.10580 170.9
[M+H-H2O]+ 284.13990 160.9
[M+HCOO]- 346.14084 182.7
[M+CH3COO]- 360.15649 199.3
[M+Na-2H]- 322.11731 173.8
[M]+ 301.14209 166.2
[M]- 301.14319 166.2
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