CID 16729222

Cobaltous (2s)-3-methyl-2-[(e)-[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylene]amino]butanoic acid

Structural Information

Molecular Formula
C24H23N3O3
SMILES
CC(C)[C@@H](C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)C3=CC=CC=N3
InChI
InChI=1S/C24H23N3O3/c1-16(2)21(24(29)30)27-22(17-10-4-3-5-11-17)18-12-6-7-13-19(18)26-23(28)20-14-8-9-15-25-20/h3-16,21H,1-2H3,(H,26,28)(H,29,30)/t21-/m0/s1
InChIKey
RCLNNDHVTJGCRA-NRFANRHFSA-N
Compound name
(2S)-3-methyl-2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.17395 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 196.9
[M+Na]+ 424.16317 198.4
[M-H]- 400.16667 204.2
[M+NH4]+ 419.20777 204.0
[M+K]+ 440.13711 194.6
[M+H-H2O]+ 384.17121 185.7
[M+HCOO]- 446.17215 215.9
[M+CH3COO]- 460.18780 228.6
[M+Na-2H]- 422.14862 197.0
[M]+ 401.17340 195.1
[M]- 401.17450 195.1
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.