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]+ 311.21178 177.6
[M+Na]+ 333.19372 186.8
[M-H]- 309.19722 180.2
[M+NH4]+ 328.23832 197.3
[M+K]+ 349.16766 180.3
[M+H-H2O]+ 293.20176 168.8
[M+HCOO]- 355.20270 191.7
[M+CH3COO]- 369.21835 187.9
[M+Na-2H]- 331.17917 180.4
[M]+ 310.20395 179.5
[M]- 310.20505 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