CID 5287936

N-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide

Structural Information

Molecular Formula
C20H17N5O
SMILES
CC(=O)N(C)C1=CC=CC(=C1)C2=NN=C3N2N=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3
InChIKey
ALBWBHNFOJJMCV-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

343.1433 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.150576 181.7
[M+Na]+ 366.132518 191.0
[M-H]- 342.136024 189.3
[M+NH4]+ 361.177123 192.1
[M+K]+ 382.106458 185.0
[M+H-H2O]+ 326.140560 169.6
[M+HCOO]- 388.141501 202.5
[M+CH3COO]- 402.157151 192.2
[M+Na-2H]- 364.117966 186.7
[M]+ 343.14275142 184.7
[M]- 343.14384858 184.7
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