CID 54689804

1922-70-9

Structural Information

Molecular Formula
C20H28N2O4
SMILES
CCCCN(CCCC)CCNC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C20H28N2O4/c1-3-5-12-22(13-6-4-2)14-11-21-19(24)17-18(23)15-9-7-8-10-16(15)26-20(17)25/h7-10,23H,3-6,11-14H2,1-2H3,(H,21,24)
InChIKey
PBUFSQGVBJQMEV-UHFFFAOYSA-N
Compound name
N-[2-(dibutylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2049 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.212176 189.3
[M+Na]+ 383.194118 194.0
[M-H]- 359.197624 193.7
[M+NH4]+ 378.238723 201.2
[M+K]+ 399.168058 192.0
[M+H-H2O]+ 343.202160 180.6
[M+HCOO]- 405.203101 210.1
[M+CH3COO]- 419.218751 223.5
[M+Na-2H]- 381.179566 191.8
[M]+ 360.20435142 195.1
[M]- 360.20544858 195.1
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.