CID 501397

Ro 44-2103

Structural Information

Molecular Formula
C22H20BrNO
SMILES
CN(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H20BrNO/c1-24(2)15-16-3-5-17(6-4-16)18-7-9-19(10-8-18)22(25)20-11-13-21(23)14-12-20/h3-14H,15H2,1-2H3
InChIKey
NPAPCTREASFGKZ-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

393.0728 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08008 188.3
[M+Na]+ 416.06202 196.9
[M-H]- 392.06552 200.9
[M+NH4]+ 411.10662 203.2
[M+K]+ 432.03596 184.8
[M+H-H2O]+ 376.07006 185.0
[M+HCOO]- 438.07100 209.2
[M+CH3COO]- 452.08665 223.1
[M+Na-2H]- 414.04747 191.2
[M]+ 393.07225 207.5
[M]- 393.07335 207.5
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.