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]+ 340.238326 184.4
[M+Na]+ 362.220268 189.1
[M-H]- 338.223774 188.9
[M+NH4]+ 357.264873 200.0
[M+K]+ 378.194208 187.0
[M+H-H2O]+ 322.228310 176.0
[M+HCOO]- 384.229251 198.4
[M+CH3COO]- 398.244901 193.0
[M+Na-2H]- 360.205716 185.4
[M]+ 339.23050142 182.3
[M]- 339.23159858 182.3
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.