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]+ 247.14411 156.4
[M+Na]+ 269.12605 165.4
[M-H]- 245.12955 161.8
[M+NH4]+ 264.17065 173.6
[M+K]+ 285.09999 162.6
[M+H-H2O]+ 229.13409 149.5
[M+HCOO]- 291.13503 180.2
[M+CH3COO]- 305.15068 201.3
[M+Na-2H]- 267.11150 162.7
[M]+ 246.13628 158.8
[M]- 246.13738 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.