CID 3046017

3-azetidinamine, 1-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-n,n-di-2-propynyl-, dihydrochloride

Structural Information

Molecular Formula
C24H24N2
SMILES
C#CCN(CC#C)C1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C24H24N2/c1-3-15-25(16-4-2)21-17-26(18-21)24-22-11-7-5-9-19(22)13-14-20-10-6-8-12-23(20)24/h1-2,5-12,21,24H,13-18H2
InChIKey
VKPWFEVHJATSFP-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-ynyl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.19394 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20122 199.6
[M+Na]+ 363.18316 205.5
[M+NH4]+ 358.22776 198.5
[M+K]+ 379.15710 195.3
[M-H]- 339.18666 190.5
[M+Na-2H]- 361.16861 196.7
[M]+ 340.19339 196.3
[M]- 340.19449 196.3
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

No patent data available for this compound.