CID 211623

23476-74-6

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCN(CC)CCOC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C18H23N3O2/c1-3-21(4-2)13-14-23-18(22)16-11-8-12-19-17(16)20-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,19,20)
InChIKey
ZMCTYZNAFGFEGO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-anilinopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 175.9
[M+Na]+ 336.16824 179.9
[M-H]- 312.17174 181.8
[M+NH4]+ 331.21284 188.6
[M+K]+ 352.14218 177.2
[M+H-H2O]+ 296.17628 165.7
[M+HCOO]- 358.17722 199.8
[M+CH3COO]- 372.19287 214.4
[M+Na-2H]- 334.15369 180.1
[M]+ 313.17847 178.5
[M]- 313.17957 178.5
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.