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]+ 233.128466 151.2
[M+Na]+ 255.110408 159.8
[M-H]- 231.113914 156.4
[M+NH4]+ 250.155013 168.6
[M+K]+ 271.084348 157.1
[M+H-H2O]+ 215.118450 144.2
[M+HCOO]- 277.119391 175.4
[M+CH3COO]- 291.135041 197.0
[M+Na-2H]- 253.095856 158.8
[M]+ 232.12064142 152.9
[M]- 232.12173858 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.