CID 206145

Brn 3006294

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCN(CC)CCNC(=O)COC1=C(C=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C19H24N2O4/c1-3-21(4-2)12-11-20-17(22)13-25-18-15-8-6-5-7-14(15)9-10-16(18)19(23)24/h5-10H,3-4,11-13H2,1-2H3,(H,20,22)(H,23,24)
InChIKey
QGTPUWNUVNNMSP-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 182.0
[M+Na]+ 367.16282 185.8
[M-H]- 343.16632 185.6
[M+NH4]+ 362.20742 195.4
[M+K]+ 383.13676 183.8
[M+H-H2O]+ 327.17086 173.7
[M+HCOO]- 389.17180 203.2
[M+CH3COO]- 403.18745 219.8
[M+Na-2H]- 365.14827 184.1
[M]+ 344.17305 185.9
[M]- 344.17415 185.9
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.