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]+ 305.201216 177.9
[M+Na]+ 327.183158 186.5
[M-H]- 303.186664 183.9
[M+NH4]+ 322.227763 194.5
[M+K]+ 343.157098 181.3
[M+H-H2O]+ 287.191200 165.9
[M+HCOO]- 349.192141 194.4
[M+CH3COO]- 363.207791 187.0
[M+Na-2H]- 325.168606 182.5
[M]+ 304.19339142 171.7
[M]- 304.19448858 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.