CID 348701

Sr6iar3zfp

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCCCNC1=C(C=C2C(=CC(=O)OC2=C1)C)N
InChI
InChI=1S/C14H18N2O2/c1-3-4-5-16-12-8-13-10(7-11(12)15)9(2)6-14(17)18-13/h6-8,16H,3-5,15H2,1-2H3
InChIKey
OONNHEAQJYWXEI-UHFFFAOYSA-N
Compound name
6-amino-7-(butylamino)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.4
[M+Na]+ 269.126048 165.4
[M-H]- 245.129554 161.8
[M+NH4]+ 264.170653 173.6
[M+K]+ 285.099988 162.6
[M+H-H2O]+ 229.134090 149.5
[M+HCOO]- 291.135031 180.2
[M+CH3COO]- 305.150681 201.3
[M+Na-2H]- 267.111496 162.7
[M]+ 246.13628142 158.8
[M]- 246.13737858 158.8
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.