CID 12968471

Haplophytin a

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1(C=CC2=C(O1)C3=C(C=CC=C3OC)NC2=O)C
InChI
InChI=1S/C15H15NO3/c1-15(2)8-7-9-13(19-15)12-10(16-14(9)17)5-4-6-11(12)18-3/h4-8H,1-3H3,(H,16,17)
InChIKey
SMAYXCAPAZDLBX-UHFFFAOYSA-N
Compound name
10-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 156.0
[M+Na]+ 280.09442 167.2
[M-H]- 256.09792 160.3
[M+NH4]+ 275.13902 174.3
[M+K]+ 296.06836 163.9
[M+H-H2O]+ 240.10246 148.7
[M+HCOO]- 302.10340 173.7
[M+CH3COO]- 316.11905 168.8
[M+Na-2H]- 278.07987 164.8
[M]+ 257.10465 158.9
[M]- 257.10575 158.9
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

No patent data available for this compound.