CID 49974

Brn 0899169

Structural Information

Molecular Formula
C21H29N3O
SMILES
CCN(CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4
InChI
InChI=1S/C21H29N3O/c1-3-23(4-2)13-12-15-10-11-17-21-20(15)19(25)14-24(21)18-9-7-5-6-8-16(18)22-17/h10-11,15H,3-9,12-14H2,1-2H3
InChIKey
LRBMKUYROQBPOV-UHFFFAOYSA-N
Compound name
13-[2-(diethylamino)ethyl]-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.23833 181.7
[M+Na]+ 362.22027 190.6
[M+NH4]+ 357.26487 189.4
[M+K]+ 378.19421 185.8
[M-H]- 338.22377 183.8
[M+Na-2H]- 360.20572 183.1
[M]+ 339.23050 183.4
[M]- 339.23160 183.4
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.