CID 9570569

38063-91-1

Structural Information

Molecular Formula
C20H23ClN4O3
SMILES
C/C(=N\OCCN1CCOCC1)/C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl
InChI
InChI=1S/C20H23ClN4O3/c1-15(24-28-14-11-25-9-12-27-13-10-25)16-4-6-17(7-5-16)23-20(26)18-3-2-8-22-19(18)21/h2-8H,9-14H2,1H3,(H,23,26)/b24-15+
InChIKey
AWFGBGWPUFJPGK-BUVRLJJBSA-N
Compound name
2-chloro-N-[4-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.14587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15315 195.4
[M+Na]+ 425.13509 207.6
[M+NH4]+ 420.17969 201.2
[M+K]+ 441.10903 200.5
[M-H]- 401.13859 201.8
[M+Na-2H]- 423.12054 202.8
[M]+ 402.14532 199.0
[M]- 402.14642 199.0
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.