CID 3073984

154186-66-0

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4C3C4)C)O)C
InChI
InChI=1S/C18H19N3O4/c1-18(2)15(22)14(12-6-9(8-19)4-5-13(12)25-18)24-16-10-7-11(10)17(23)21(3)20-16/h4-6,10-11,14-15,22H,7H2,1-3H3
InChIKey
MKTQQSFOHCYVKM-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethyl-4-[(4-methyl-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)oxy]-3,4-dihydrochromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

341.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 181.1
[M+Na]+ 364.12676 195.3
[M+NH4]+ 359.17136 186.5
[M+K]+ 380.10070 186.1
[M-H]- 340.13026 183.9
[M+Na-2H]- 362.11221 184.6
[M]+ 341.13699 184.4
[M]- 341.13809 184.4
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