CID 135303769

2242464-44-2

Structural Information

Molecular Formula
C18H18ClN5O3
SMILES
C[C@@H](CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClN5O3/c1-11(10-25)21-17(26)15-7-16(12-3-5-13(19)6-4-12)22-24(18(15)27)14-8-20-23(2)9-14/h3-9,11,25H,10H2,1-2H3,(H,21,26)/t11-/m0/s1
InChIKey
YAGSZKAJPHGVOV-NSHDSACASA-N
Compound name
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

387.1098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11708 188.6
[M+Na]+ 410.09902 197.9
[M-H]- 386.10252 193.2
[M+NH4]+ 405.14362 196.4
[M+K]+ 426.07296 191.4
[M+H-H2O]+ 370.10706 178.0
[M+HCOO]- 432.10800 202.1
[M+CH3COO]- 446.12365 218.7
[M+Na-2H]- 408.08447 188.3
[M]+ 387.10925 192.4
[M]- 387.11035 192.4
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

patents stripe