CID 9574278

Benzopyran2one

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C(C=C1)N/N=C\2/C=CC3=CC=CC=C3O2
InChI
InChI=1S/C15H12N2O/c1-2-7-13(8-3-1)16-17-15-11-10-12-6-4-5-9-14(12)18-15/h1-11,16H/b17-15-
InChIKey
IWSWBGSUDNWZAP-ICFOKQHNSA-N
Compound name
N-[(Z)-chromen-2-ylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 149.1
[M+Na]+ 259.08418 157.0
[M-H]- 235.08768 158.8
[M+NH4]+ 254.12878 166.3
[M+K]+ 275.05812 153.8
[M+H-H2O]+ 219.09222 140.7
[M+HCOO]- 281.09316 176.0
[M+CH3COO]- 295.10881 162.6
[M+Na-2H]- 257.06963 161.2
[M]+ 236.09441 149.4
[M]- 236.09551 149.4
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

No patent data available for this compound.