CID 67212631

28726-30-9

Structural Information

Molecular Formula
C22H24N2
SMILES
CC1=C(C(=CC=C1)NC2=CC=C(C=C2)NC3=CC=CC(=C3C)C)C
InChI
InChI=1S/C22H24N2/c1-15-7-5-9-21(17(15)3)23-19-11-13-20(14-12-19)24-22-10-6-8-16(2)18(22)4/h5-14,23-24H,1-4H3
InChIKey
WAQPDYDRPQTELB-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2,3-dimethylphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

316.19394 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 181.0
[M+Na]+ 339.18316 197.6
[M+NH4]+ 334.22776 190.5
[M+K]+ 355.15710 187.0
[M-H]- 315.18666 190.5
[M+Na-2H]- 337.16861 192.8
[M]+ 316.19339 186.4
[M]- 316.19449 186.4
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