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]+ 341.201216 179.5
[M+Na]+ 363.183158 187.4
[M-H]- 339.186664 182.9
[M+NH4]+ 358.227763 184.3
[M+K]+ 379.157098 182.3
[M+H-H2O]+ 323.191200 162.5
[M+HCOO]- 385.192141 184.5
[M+CH3COO]- 399.207791 183.7
[M+Na-2H]- 361.168606 178.7
[M]+ 340.19339142 174.1
[M]- 340.19448858 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.