CID 3015360

1,4-benzenediamine, n-(2-methylphenyl)-n'-phenyl-

Structural Information

Molecular Formula
C19H18N2
SMILES
CC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H18N2/c1-15-7-5-6-10-19(15)21-18-13-11-17(12-14-18)20-16-8-3-2-4-9-16/h2-14,20-21H,1H3
InChIKey
QFTSXPJTPSOVJG-UHFFFAOYSA-N
Compound name
4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

274.147 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15428 163.2
[M+Na]+ 297.13622 169.2
[M-H]- 273.13972 172.7
[M+NH4]+ 292.18082 178.3
[M+K]+ 313.11016 163.3
[M+H-H2O]+ 257.14426 154.0
[M+HCOO]- 319.14520 189.2
[M+CH3COO]- 333.16085 174.9
[M+Na-2H]- 295.12167 170.6
[M]+ 274.14645 160.8
[M]- 274.14755 160.8
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.