CID 15676

Ucb 4208

Structural Information

Molecular Formula
C21H24N2
SMILES
CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)C#N
InChI
InChI=1S/C21H24N2/c1-23(2)15-7-14-21(16-22)19-10-5-3-8-17(19)12-13-18-9-4-6-11-20(18)21/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
SRZCPZGCRDDINU-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 177.9
[M+Na]+ 327.18316 186.5
[M-H]- 303.18666 183.9
[M+NH4]+ 322.22776 194.5
[M+K]+ 343.15710 181.3
[M+H-H2O]+ 287.19120 165.9
[M+HCOO]- 349.19214 194.4
[M+CH3COO]- 363.20779 187.0
[M+Na-2H]- 325.16861 182.5
[M]+ 304.19339 171.7
[M]- 304.19449 171.7
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.