CID 979067

478959-75-0

Structural Information

Molecular Formula
C20H20BrN2
SMILES
C1CCC2=[N+](CC1)C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H20BrN2/c21-17-12-10-16(11-13-17)19-15-22-14-6-2-5-9-20(22)23(19)18-7-3-1-4-8-18/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2/q+1
InChIKey
MAKPUHQSXDGVNN-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.081 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08828 188.6
[M+Na]+ 390.07022 197.3
[M-H]- 366.07372 199.6
[M+NH4]+ 385.11482 203.5
[M+K]+ 406.04416 183.4
[M+H-H2O]+ 350.07826 188.8
[M+HCOO]- 412.07920 204.4
[M+CH3COO]- 426.09485 199.5
[M+Na-2H]- 388.05567 193.2
[M]+ 367.08045 200.3
[M]- 367.08155 200.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.