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]+ 224.150056 151.1
[M+Na]+ 246.131998 158.0
[M-H]- 222.135504 157.4
[M+NH4]+ 241.176603 168.6
[M+K]+ 262.105938 152.7
[M+H-H2O]+ 206.140040 143.5
[M+HCOO]- 268.140981 176.8
[M+CH3COO]- 282.156631 194.9
[M+Na-2H]- 244.117446 157.0
[M]+ 223.14223142 148.2
[M]- 223.14332858 148.2
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.