CID 42402

Brn 0491501

Structural Information

Molecular Formula
C21H24N2
SMILES
CC1=C(N2C3=CC=CC=C3CCC4=C2C1=CC=C4)CCN(C)C
InChI
InChI=1S/C21H24N2/c1-15-18-9-6-8-17-12-11-16-7-4-5-10-20(16)23(21(17)18)19(15)13-14-22(2)3/h4-10H,11-14H2,1-3H3
InChIKey
TZGIJHSIMPTQSE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

304.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 175.8
[M+Na]+ 327.18316 184.4
[M-H]- 303.18666 183.4
[M+NH4]+ 322.22776 194.8
[M+K]+ 343.15710 182.1
[M+H-H2O]+ 287.19120 169.6
[M+HCOO]- 349.19214 196.3
[M+CH3COO]- 363.20779 187.4
[M+Na-2H]- 325.16861 180.5
[M]+ 304.19339 178.2
[M]- 304.19449 178.2
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