CID 477520

Ethyl-methyl-(1h-pyrazol-4-yl)[?]

Structural Information

Molecular Formula
C19H17N7
SMILES
CCN1C2=C(C=CC=N2)C3=CN=C(N3C4=C1N=C(C=C4)C5=CNN=C5)C
InChI
InChI=1S/C19H17N7/c1-3-25-18-14(5-4-8-20-18)17-11-21-12(2)26(17)16-7-6-15(24-19(16)25)13-9-22-23-10-13/h4-11H,3H2,1-2H3,(H,22,23)
InChIKey
SFSZAXYZYMNMRQ-UHFFFAOYSA-N
Compound name
13-ethyl-3-methyl-16-(1H-pyrazol-4-yl)-2,4,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15454 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16182 186.3
[M+Na]+ 366.14376 199.9
[M-H]- 342.14726 189.6
[M+NH4]+ 361.18836 196.4
[M+K]+ 382.11770 193.6
[M+H-H2O]+ 326.15180 173.4
[M+HCOO]- 388.15274 200.2
[M+CH3COO]- 402.16839 195.6
[M+Na-2H]- 364.12921 189.3
[M]+ 343.15399 187.3
[M]- 343.15509 187.3
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

No patent data available for this compound.