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
1
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]+ 251.15428 158.9
[M+Na]+ 273.13622 165.6
[M-H]- 249.13972 166.8
[M+NH4]+ 268.18082 176.3
[M+K]+ 289.11016 160.5
[M+H-H2O]+ 233.14426 150.6
[M+HCOO]- 295.14520 186.2
[M+CH3COO]- 309.16085 202.7
[M+Na-2H]- 271.12167 165.1
[M]+ 250.14645 158.7
[M]- 250.14755 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.