CID 3057675

74117-21-8

Structural Information

Molecular Formula
C20H25N3
SMILES
CN(C)CCCN1CC2=CC=CC3=C2N(CC3)C4=CC=CC=C41
InChI
InChI=1S/C20H25N3/c1-21(2)12-6-13-22-15-17-8-5-7-16-11-14-23(20(16)17)19-10-4-3-9-18(19)22/h3-5,7-10H,6,11-15H2,1-2H3
InChIKey
BWQMHKNSKUBRDB-UHFFFAOYSA-N
Compound name
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

307.20483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.212106 175.8
[M+Na]+ 330.194048 182.0
[M-H]- 306.197554 180.9
[M+NH4]+ 325.238653 192.8
[M+K]+ 346.167988 179.7
[M+H-H2O]+ 290.202090 167.6
[M+HCOO]- 352.203031 192.6
[M+CH3COO]- 366.218681 185.7
[M+Na-2H]- 328.179496 179.8
[M]+ 307.20428142 175.1
[M]- 307.20537858 175.1
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

patents stripe