CID 90951

Einecs 245-725-5

Structural Information

Molecular Formula
C17H18N2
SMILES
CC1=CC(=CC=C1)NC=CC=NC2=CC=CC(=C2)C
InChI
InChI=1S/C17H18N2/c1-14-6-3-8-16(12-14)18-10-5-11-19-17-9-4-7-15(2)13-17/h3-13,18H,1-2H3
InChIKey
YLFXCOHVYROVSG-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-(3-methylphenyl)iminoprop-1-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 158.9
[M+Na]+ 273.136218 165.6
[M-H]- 249.139724 166.8
[M+NH4]+ 268.180823 176.3
[M+K]+ 289.110158 160.5
[M+H-H2O]+ 233.144260 150.6
[M+HCOO]- 295.145201 186.2
[M+CH3COO]- 309.160851 202.7
[M+Na-2H]- 271.121666 165.1
[M]+ 250.14645142 158.7
[M]- 250.14754858 158.7
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.