CID 50899470

(11c)medas

Structural Information

Molecular Formula
C15H16N2
SMILES
[11CH3]NC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11,17H,16H2,1H3/b3-2+/i1-1
InChIKey
LSXVZFZGGWPTSL-CKRIYKSPSA-N
Compound name
4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

223.14278 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15006 153.0
[M+Na]+ 246.13200 166.7
[M+NH4]+ 241.17660 162.1
[M+K]+ 262.10594 158.0
[M-H]- 222.13550 159.3
[M+Na-2H]- 244.11745 162.8
[M]+ 223.14223 156.7
[M]- 223.14333 156.7
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

No patent data available for this compound.