CID 389253

Nsc685006

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-21-14-9-5-6-11-10-13(16(18)22-15(11)14)17(20)19-12-7-3-2-4-8-12/h2-10,18H,1H3,(H,19,20)
InChIKey
WPGOGVHGJRFBNE-UHFFFAOYSA-N
Compound name
2-imino-8-methoxy-N-phenylchromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.7
[M+Na]+ 317.08965 173.7
[M-H]- 293.09315 174.5
[M+NH4]+ 312.13425 180.0
[M+K]+ 333.06359 170.6
[M+H-H2O]+ 277.09769 157.1
[M+HCOO]- 339.09863 189.9
[M+CH3COO]- 353.11428 207.5
[M+Na-2H]- 315.07510 173.6
[M]+ 294.09988 167.2
[M]- 294.10098 167.2
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.