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 184.4
[M+Na]+ 362.22027 189.1
[M-H]- 338.22377 188.9
[M+NH4]+ 357.26487 200.0
[M+K]+ 378.19421 187.0
[M+H-H2O]+ 322.22831 176.0
[M+HCOO]- 384.22925 198.4
[M+CH3COO]- 398.24490 193.0
[M+Na-2H]- 360.20572 185.4
[M]+ 339.23050 182.3
[M]- 339.23160 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.