CID 42631003

1061354-48-0

Structural Information

Molecular Formula
C21H24N2
SMILES
CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CC=CC=C4
InChI
InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKey
IBUHDDLETPJVGP-UHFFFAOYSA-N
Compound name
2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

171
Patents

304.19394 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 175.8
[M+Na]+ 327.18316 184.7
[M-H]- 303.18666 181.5
[M+NH4]+ 322.22776 192.2
[M+K]+ 343.15710 177.4
[M+H-H2O]+ 287.19120 166.0
[M+HCOO]- 349.19214 193.8
[M+CH3COO]- 363.20779 186.6
[M+Na-2H]- 325.16861 178.8
[M]+ 304.19339 176.4
[M]- 304.19449 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe