CID 15956325

Schembl6956408

Structural Information

Molecular Formula
C19H20N6O
SMILES
CCN1C2=C(C=C(C=N2)CCC3=CNN=C3)C(=O)NC4=C(C=CN=C41)C
InChI
InChI=1S/C19H20N6O/c1-3-25-17-15(19(26)24-16-12(2)6-7-20-18(16)25)8-13(9-21-17)4-5-14-10-22-23-11-14/h6-11H,3-5H2,1-2H3,(H,22,23)(H,24,26)
InChIKey
ONSNVKHXZGNQNI-UHFFFAOYSA-N
Compound name
2-ethyl-7-methyl-13-[2-(1H-pyrazol-4-yl)ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.16986 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17714 189.6
[M+Na]+ 371.15908 199.5
[M-H]- 347.16258 190.2
[M+NH4]+ 366.20368 197.1
[M+K]+ 387.13302 194.3
[M+H-H2O]+ 331.16712 176.8
[M+HCOO]- 393.16806 200.4
[M+CH3COO]- 407.18371 197.0
[M+Na-2H]- 369.14453 191.5
[M]+ 348.16931 186.6
[M]- 348.17041 186.6
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