CID 13850881

Dtxsid601036432

Structural Information

Molecular Formula
C19H20N4O3
SMILES
CC1CC(=O)NN=C1C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C19H20N4O3/c1-11-9-17(24)22-23-18(11)13-5-8-16(15(20)10-13)21-19(25)12-3-6-14(26-2)7-4-12/h3-8,10-11H,9,20H2,1-2H3,(H,21,25)(H,22,24)
InChIKey
WJMJXFIZZSXKST-UHFFFAOYSA-N
Compound name
N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

352.15353 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 184.9
[M+Na]+ 375.14275 190.9
[M-H]- 351.14625 190.4
[M+NH4]+ 370.18735 193.3
[M+K]+ 391.11669 185.4
[M+H-H2O]+ 335.15079 174.2
[M+HCOO]- 397.15173 203.1
[M+CH3COO]- 411.16738 217.6
[M+Na-2H]- 373.12820 185.8
[M]+ 352.15298 181.2
[M]- 352.15408 181.2
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