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]+ 334.19138 183.7
[M+Na]+ 356.17332 193.0
[M-H]- 332.17682 187.8
[M+NH4]+ 351.21792 200.8
[M+K]+ 372.14726 187.7
[M+H-H2O]+ 316.18136 174.3
[M+HCOO]- 378.18230 203.7
[M+CH3COO]- 392.19795 194.7
[M+Na-2H]- 354.15877 188.9
[M]+ 333.18355 192.7
[M]- 333.18465 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.