CID 3060979

(1)benzopyrano(4,3-c)pyrazole, 2,3,3a,4-tetrahydro-2-acetyl-7-methoxy-3-phenyl-, trans-

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC(=O)N1[C@H]([C@H]2COC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O3/c1-12(22)21-19(13-6-4-3-5-7-13)16-11-24-17-10-14(23-2)8-9-15(17)18(16)20-21/h3-10,16,19H,11H2,1-2H3/t16-,19-/m0/s1
InChIKey
ZMWKNNBUXYRCPY-LPHOPBHVSA-N
Compound name
1-[(3R,3aR)-7-methoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 175.4
[M+Na]+ 345.12096 190.1
[M+NH4]+ 340.16556 183.5
[M+K]+ 361.09490 184.8
[M-H]- 321.12446 180.4
[M+Na-2H]- 343.10641 180.7
[M]+ 322.13119 179.0
[M]- 322.13229 179.0
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.