CID 48715

Brn 0890347

Structural Information

Molecular Formula
C18H25N3
SMILES
CC1C2=C3C(=C(NC3=CC=C2)CN4CCCCC4)CCN1
InChI
InChI=1S/C18H25N3/c1-13-14-6-5-7-16-18(14)15(8-9-19-13)17(20-16)12-21-10-3-2-4-11-21/h5-7,13,19-20H,2-4,8-12H2,1H3
InChIKey
LFPFDGKIXLUZMH-UHFFFAOYSA-N
Compound name
9-methyl-2-(piperidin-1-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.20483 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 168.5
[M+Na]+ 306.19405 178.9
[M+NH4]+ 301.23865 176.3
[M+K]+ 322.16799 174.1
[M-H]- 282.19755 170.7
[M+Na-2H]- 304.17950 172.3
[M]+ 283.20428 170.5
[M]- 283.20538 170.5
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.