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 179.5
[M+Na]+ 363.18316 187.4
[M-H]- 339.18666 182.9
[M+NH4]+ 358.22776 184.3
[M+K]+ 379.15710 182.3
[M+H-H2O]+ 323.19120 162.5
[M+HCOO]- 385.19214 184.5
[M+CH3COO]- 399.20779 183.7
[M+Na-2H]- 361.16861 178.7
[M]+ 340.19339 174.1
[M]- 340.19449 174.1
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.