CID 3041655

2h-1-benzopyran-2-one, 7-(3-(dimethylamino)propoxy)-4-methyl-

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN(C)C
InChI
InChI=1S/C15H19NO3/c1-11-9-15(17)19-14-10-12(5-6-13(11)14)18-8-4-7-16(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey
AECNRMSHGJVOJR-UHFFFAOYSA-N
Compound name
7-[3-(dimethylamino)propoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

261.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.0
[M+Na]+ 284.12572 167.5
[M-H]- 260.12922 165.9
[M+NH4]+ 279.17032 176.4
[M+K]+ 300.09966 166.8
[M+H-H2O]+ 244.13376 151.6
[M+HCOO]- 306.13470 182.8
[M+CH3COO]- 320.15035 204.0
[M+Na-2H]- 282.11117 165.5
[M]+ 261.13595 165.7
[M]- 261.13705 165.7
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

patents stripe