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 196.1
[M+Na]+ 425.13509 199.4
[M-H]- 401.13859 203.5
[M+NH4]+ 420.17969 202.7
[M+K]+ 441.10903 195.6
[M+H-H2O]+ 385.14313 184.3
[M+HCOO]- 447.14407 209.7
[M+CH3COO]- 461.15972 225.8
[M+Na-2H]- 423.12054 198.5
[M]+ 402.14532 196.9
[M]- 402.14642 196.9
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.