CID 57582353

1079400-07-9

Structural Information

Molecular Formula
C17H16ClN5O2
SMILES
CN1C(=CC=N1)C(=O)NC2=NC(=C(C=C2)C3=C(C=CC(=C3)OC)Cl)N
InChI
InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
InChIKey
ZRJGMDIPCQOGNI-UHFFFAOYSA-N
Compound name
N-[6-amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl]-2-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

329
Patents

357.09924 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10652 183.2
[M+Na]+ 380.08846 192.9
[M-H]- 356.09196 189.9
[M+NH4]+ 375.13306 193.9
[M+K]+ 396.06240 186.5
[M+H-H2O]+ 340.09650 172.9
[M+HCOO]- 402.09744 201.0
[M+CH3COO]- 416.11309 193.6
[M+Na-2H]- 378.07391 184.3
[M]+ 357.09869 186.3
[M]- 357.09979 186.3
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