CID 3043761

Ift 1024

Structural Information

Molecular Formula
C21H24Br2N2O
SMILES
CN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C21H24Br2N2O/c1-25(18-10-6-3-7-11-18)14-16-12-17(22)13-19(23)20(16)24-21(26)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14H2,1H3,(H,24,26)
InChIKey
SSISCWJZVJGIHM-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

478.02554 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03282 191.8
[M+Na]+ 501.01476 196.2
[M-H]- 477.01826 202.1
[M+NH4]+ 496.05936 204.0
[M+K]+ 516.98870 180.8
[M+H-H2O]+ 461.02280 196.3
[M+HCOO]- 523.02374 204.7
[M+CH3COO]- 537.03939 234.9
[M+Na-2H]- 499.00021 192.6
[M]+ 478.02499 221.8
[M]- 478.02609 221.8
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

patents stripe