CID 11173546

848591-89-9

Structural Information

Molecular Formula
C17H20N4
SMILES
CN1CC2CN(CC2C1)C3=NN=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3
InChIKey
GTMRUYCIJSNXGB-UHFFFAOYSA-N
Compound name
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

158
Patents

280.1688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17608 167.5
[M+Na]+ 303.15802 175.1
[M-H]- 279.16152 172.8
[M+NH4]+ 298.20262 182.2
[M+K]+ 319.13196 169.5
[M+H-H2O]+ 263.16606 156.6
[M+HCOO]- 325.16700 184.0
[M+CH3COO]- 339.18265 177.8
[M+Na-2H]- 301.14347 167.5
[M]+ 280.16825 164.4
[M]- 280.16935 164.4
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