CID 9589172

Brn 3629859

Structural Information

Molecular Formula
C23H20Br2N2O
SMILES
C\1C(NC(C(/C1=N/O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H20Br2N2O/c24-18-10-6-15(7-11-18)20-14-21(27-28)22(16-4-2-1-3-5-16)23(26-20)17-8-12-19(25)13-9-17/h1-13,20,22-23,26,28H,14H2/b27-21+
InChIKey
XCCXAQPCIZPNDX-SZXQPVLSSA-N
Compound name
(NE)-N-[2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.99423 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.00151 193.5
[M+Na]+ 520.98345 199.5
[M-H]- 496.98695 203.7
[M+NH4]+ 516.02805 203.4
[M+K]+ 536.95739 183.0
[M+H-H2O]+ 480.99149 198.7
[M+HCOO]- 542.99243 204.4
[M+CH3COO]- 557.00808 202.4
[M+Na-2H]- 518.96890 195.3
[M]+ 497.99368 221.8
[M]- 497.99478 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

No patent data available for this compound.