CID 462244

Men 10992

Structural Information

Molecular Formula
C19H20N4O
SMILES
CCN1C2=CC=CC=C2C3=C1C(=O)N(C4=C(N3CC)N=CC=C4)C
InChI
InChI=1S/C19H20N4O/c1-4-22-14-10-7-6-9-13(14)16-17(22)19(24)21(3)15-11-8-12-20-18(15)23(16)5-2/h6-12H,4-5H2,1-3H3
InChIKey
BTYJPBVNYCWONC-UHFFFAOYSA-N
Compound name
2,12-diethyl-9-methyl-2,4,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3(8),4,6,13,15,17-heptaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 179.8
[M+Na]+ 343.15292 192.2
[M-H]- 319.15642 183.8
[M+NH4]+ 338.19752 194.1
[M+K]+ 359.12686 188.5
[M+H-H2O]+ 303.16096 170.3
[M+HCOO]- 365.16190 195.9
[M+CH3COO]- 379.17755 190.5
[M+Na-2H]- 341.13837 183.5
[M]+ 320.16315 182.1
[M]- 320.16425 182.1
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

No patent data available for this compound.