CID 6437872

Norzimeldine

Structural Information

Molecular Formula
C15H15BrN2
SMILES
CNC/C=C(\C1=CC=C(C=C1)Br)/C2=CN=CC=C2
InChI
InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8+
InChIKey
AZFZKANGXPSDEA-OVCLIPMQSA-N
Compound name
(E)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

27
Patents

302.04187 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04915 161.9
[M+Na]+ 325.03109 171.0
[M-H]- 301.03459 169.2
[M+NH4]+ 320.07569 178.8
[M+K]+ 341.00503 158.0
[M+H-H2O]+ 285.03913 159.7
[M+HCOO]- 347.04007 182.3
[M+CH3COO]- 361.05572 202.1
[M+Na-2H]- 323.01654 168.8
[M]+ 302.04132 178.8
[M]- 302.04242 178.8
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.