CID 24839616

94831-78-4

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCC1(CC(=O)N2C3=CC=CC=C3C4=C2C1N(CC4)CC)CC
InChI
InChI=1S/C20H26N2O/c1-4-20(5-2)13-17(23)22-16-10-8-7-9-14(16)15-11-12-21(6-3)19(20)18(15)22/h7-10,19H,4-6,11-13H2,1-3H3
InChIKey
ZPODLMFUOGZUDR-UHFFFAOYSA-N
Compound name
4,4,6-triethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 177.6
[M+Na]+ 333.193718 186.8
[M-H]- 309.197224 180.2
[M+NH4]+ 328.238323 197.3
[M+K]+ 349.167658 180.3
[M+H-H2O]+ 293.201760 168.8
[M+HCOO]- 355.202701 191.7
[M+CH3COO]- 369.218351 187.9
[M+Na-2H]- 331.179166 180.4
[M]+ 310.20395142 179.5
[M]- 310.20504858 179.5
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