CID 54689811

19225-12-8

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCCN(CCC)CCNC(=O)C1=C(C2=CC=CC(=C2OC1=O)C)O
InChI
InChI=1S/C19H26N2O4/c1-4-10-21(11-5-2)12-9-20-18(23)15-16(22)14-8-6-7-13(3)17(14)25-19(15)24/h6-8,22H,4-5,9-12H2,1-3H3,(H,20,23)
InChIKey
HWHOAUJTMQFIMS-UHFFFAOYSA-N
Compound name
N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.196546 184.9
[M+Na]+ 369.178488 191.0
[M-H]- 345.181994 189.9
[M+NH4]+ 364.223093 197.7
[M+K]+ 385.152428 189.3
[M+H-H2O]+ 329.186530 176.7
[M+HCOO]- 391.187471 206.0
[M+CH3COO]- 405.203121 221.8
[M+Na-2H]- 367.163936 187.3
[M]+ 346.18872142 190.8
[M]- 346.18981858 190.8
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.