CID 3058624

75449-61-5

Structural Information

Molecular Formula
C18H20ClN3O3
SMILES
C1COCCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN3O3/c19-14-3-5-15(6-4-14)21-17-16(2-1-7-20-17)18(23)25-13-10-22-8-11-24-12-9-22/h1-7H,8-13H2,(H,20,21)
InChIKey
QZQBCXPSPKOFGX-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11932 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12660 184.1
[M+Na]+ 384.10854 188.6
[M-H]- 360.11204 190.3
[M+NH4]+ 379.15314 192.1
[M+K]+ 400.08248 184.4
[M+H-H2O]+ 344.11658 172.9
[M+HCOO]- 406.11752 196.5
[M+CH3COO]- 420.13317 212.9
[M+Na-2H]- 382.09399 187.5
[M]+ 361.11877 184.3
[M]- 361.11987 184.3
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.