CID 3084449

Trazitiline

Structural Information

Molecular Formula
C21H24N2
SMILES
CN1CCN(CC1)C23CCC(C4=CC=CC=C42)C5=CC=CC=C35
InChI
InChI=1S/C21H24N2/c1-22-12-14-23(15-13-22)21-11-10-16(17-6-2-4-8-19(17)21)18-7-3-5-9-20(18)21/h2-9,16H,10-15H2,1H3
InChIKey
MXZCHCNRTUYWKE-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

304.19394 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 170.5
[M+Na]+ 327.18316 173.9
[M-H]- 303.18666 171.7
[M+NH4]+ 322.22776 188.3
[M+K]+ 343.15710 167.3
[M+H-H2O]+ 287.19120 157.3
[M+HCOO]- 349.19214 177.0
[M+CH3COO]- 363.20779 177.9
[M+Na-2H]- 325.16861 178.4
[M]+ 304.19339 166.7
[M]- 304.19449 166.7
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.