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]+ 345.180876 182.0
[M+Na]+ 367.162818 185.8
[M-H]- 343.166324 185.6
[M+NH4]+ 362.207423 195.4
[M+K]+ 383.136758 183.8
[M+H-H2O]+ 327.170860 173.7
[M+HCOO]- 389.171801 203.2
[M+CH3COO]- 403.187451 219.8
[M+Na-2H]- 365.148266 184.1
[M]+ 344.17305142 185.9
[M]- 344.17414858 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.