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]+ 308.21211 175.8
[M+Na]+ 330.19405 182.0
[M-H]- 306.19755 180.9
[M+NH4]+ 325.23865 192.8
[M+K]+ 346.16799 179.7
[M+H-H2O]+ 290.20209 167.6
[M+HCOO]- 352.20303 192.6
[M+CH3COO]- 366.21868 185.7
[M+Na-2H]- 328.17950 179.8
[M]+ 307.20428 175.1
[M]- 307.20538 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