CID 129165016

Cee321

Structural Information

Molecular Formula
C18H16ClN5O
SMILES
CC1=NC(=CC=C1)NC2=NC=C(C(=C2)NC3=CC=CC=C3Cl)C(=O)N
InChI
InChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
InChIKey
OYWNKAAPXTYEBN-UHFFFAOYSA-N
Compound name
4-(2-chloroanilino)-6-[(6-methylpyridin-2-yl)amino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

353.10434 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11162 182.7
[M+Na]+ 376.09356 190.6
[M-H]- 352.09706 189.6
[M+NH4]+ 371.13816 192.3
[M+K]+ 392.06750 183.3
[M+H-H2O]+ 336.10160 172.2
[M+HCOO]- 398.10254 201.5
[M+CH3COO]- 412.11819 192.3
[M+Na-2H]- 374.07901 187.3
[M]+ 353.10379 182.7
[M]- 353.10489 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe