CID 58318

101418-09-1

Structural Information

Molecular Formula
C22H26N2
SMILES
CN(C)CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4=CC=CC=C4
InChI
InChI=1S/C22H26N2/c1-23(2)15-18-12-13-22-20(14-18)19-10-6-7-11-21(19)24(22)16-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11,15-16H2,1-2H3
InChIKey
BUUWPDIOISGSRB-UHFFFAOYSA-N
Compound name
1-(9-benzyl-5,6,7,8-tetrahydrocarbazol-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 178.3
[M+Na]+ 341.19882 184.9
[M-H]- 317.20232 186.2
[M+NH4]+ 336.24342 195.4
[M+K]+ 357.17276 179.0
[M+H-H2O]+ 301.20686 168.7
[M+HCOO]- 363.20780 198.9
[M+CH3COO]- 377.22345 189.1
[M+Na-2H]- 339.18427 181.5
[M]+ 318.20905 178.9
[M]- 318.21015 178.9
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.