CID 3046670

1h-cyclopenta(gh)perimidine, 6,7-dihydro-4-acetyl-1-(2-(diethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H23N3O
SMILES
CCN(CC)CCN1C=NC2=C(C=C3C=CC4=C3C2=C1C=C4)C(=O)C
InChI
InChI=1S/C21H23N3O/c1-4-23(5-2)10-11-24-13-22-21-17(14(3)25)12-16-7-6-15-8-9-18(24)20(21)19(15)16/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKey
PPMHYAVAWGRFQD-UHFFFAOYSA-N
Compound name
1-[7-[2-(diethylamino)ethyl]-5,7-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1,3,5,8(15),9,11(14),12-heptaen-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.191376 183.7
[M+Na]+ 356.173318 193.0
[M-H]- 332.176824 187.8
[M+NH4]+ 351.217923 200.8
[M+K]+ 372.147258 187.7
[M+H-H2O]+ 316.181360 174.3
[M+HCOO]- 378.182301 203.7
[M+CH3COO]- 392.197951 194.7
[M+Na-2H]- 354.158766 188.9
[M]+ 333.18355142 192.7
[M]- 333.18464858 192.7
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.