CID 5378630

Nomelidine

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-NVNXTCNLSA-N
Compound name
(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

132
Patents

302.04187 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.049146 161.9
[M+Na]+ 325.031088 171.0
[M-H]- 301.034594 169.2
[M+NH4]+ 320.075693 178.8
[M+K]+ 341.005028 158.0
[M+H-H2O]+ 285.039130 159.7
[M+HCOO]- 347.040071 182.3
[M+CH3COO]- 361.055721 202.1
[M+Na-2H]- 323.016536 168.8
[M]+ 302.04132142 178.8
[M]- 302.04241858 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

literature stripe

Patent stripe

patents stripe