CID 42998

59288-11-8

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCCCNC1=C(C(=O)OC2=CC=CC=C21)N
InChI
InChI=1S/C13H16N2O2/c1-2-3-8-15-12-9-6-4-5-7-10(9)17-13(16)11(12)14/h4-7,15H,2-3,8,14H2,1H3
InChIKey
IBRXTMRWTXOILF-UHFFFAOYSA-N
Compound name
3-amino-4-(butylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.2
[M+Na]+ 255.11041 159.8
[M-H]- 231.11391 156.4
[M+NH4]+ 250.15501 168.6
[M+K]+ 271.08435 157.1
[M+H-H2O]+ 215.11845 144.2
[M+HCOO]- 277.11939 175.4
[M+CH3COO]- 291.13504 197.0
[M+Na-2H]- 253.09586 158.8
[M]+ 232.12064 152.9
[M]- 232.12174 152.9
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.