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

literature stripe

Patent stripe

patents stripe