CID 112332

N-phenyl-n'-o-tolylethylenediamine

Structural Information

Molecular Formula
C15H18N2
SMILES
CC1=CC=CC=C1NCCNC2=CC=CC=C2
InChI
InChI=1S/C15H18N2/c1-13-7-5-6-10-15(13)17-12-11-16-14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3
InChIKey
ZXCVPHWNWZMCFB-UHFFFAOYSA-N
Compound name
N'-(2-methylphenyl)-N-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.147 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 151.2
[M+Na]+ 249.136218 156.6
[M-H]- 225.139724 157.5
[M+NH4]+ 244.180823 168.5
[M+K]+ 265.110158 152.3
[M+H-H2O]+ 209.144260 143.2
[M+HCOO]- 271.145201 177.3
[M+CH3COO]- 285.160851 196.0
[M+Na-2H]- 247.121666 158.9
[M]+ 226.14645142 149.6
[M]- 226.14754858 149.6
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

patents stripe