CID 703042

206658-82-4

Structural Information

Molecular Formula
C15H11N3O2
SMILES
CC1=CC(=C2C(=C1)C(=O)C3=C(O2)N=C(C(=C3)C#N)N)C
InChI
InChI=1S/C15H11N3O2/c1-7-3-8(2)13-10(4-7)12(19)11-5-9(6-16)14(17)18-15(11)20-13/h3-5H,1-2H3,(H2,17,18)
InChIKey
USAZXZTWSANYEL-UHFFFAOYSA-N
Compound name
2-amino-7,9-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

265.0851 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09238 164.6
[M+Na]+ 288.07432 179.7
[M-H]- 264.07782 168.9
[M+NH4]+ 283.11892 179.2
[M+K]+ 304.04826 173.5
[M+H-H2O]+ 248.08236 150.5
[M+HCOO]- 310.08330 182.8
[M+CH3COO]- 324.09895 176.1
[M+Na-2H]- 286.05977 170.9
[M]+ 265.08455 163.4
[M]- 265.08565 163.4
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

patents stripe