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 181.2
[M+Na]+ 364.12676 199.0
[M-H]- 340.13026 187.4
[M+NH4]+ 359.17136 190.7
[M+K]+ 380.10070 189.5
[M+H-H2O]+ 324.13480 169.8
[M+HCOO]- 386.13574 192.4
[M+CH3COO]- 400.15139 191.3
[M+Na-2H]- 362.11221 185.4
[M]+ 341.13699 182.5
[M]- 341.13809 182.5
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

patents stripe