CID 102034

1245-82-5

Structural Information

Molecular Formula
C22H28Br2N2
SMILES
C1CC(CCC1CNCC2=CC=CC=C2Br)CNCC3=CC=CC=C3Br
InChI
InChI=1S/C22H28Br2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2
InChIKey
IDSYCIQCPYFYKD-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-1-[4-[[(2-bromophenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.06192 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06920 193.0
[M+Na]+ 501.05114 197.0
[M-H]- 477.05464 201.9
[M+NH4]+ 496.09574 204.8
[M+K]+ 517.02508 179.9
[M+H-H2O]+ 461.05918 197.5
[M+HCOO]- 523.06012 205.7
[M+CH3COO]- 537.07577 233.4
[M+Na-2H]- 499.03659 194.8
[M]+ 478.06137 222.3
[M]- 478.06247 222.3
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.