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

24
Patents

316.19394 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.201216 178.3
[M+Na]+ 339.183158 185.8
[M-H]- 315.186664 188.5
[M+NH4]+ 334.227763 192.6
[M+K]+ 355.157098 179.4
[M+H-H2O]+ 299.191200 168.9
[M+HCOO]- 361.192141 203.2
[M+CH3COO]- 375.207791 217.5
[M+Na-2H]- 337.168606 181.7
[M]+ 316.19339142 178.1
[M]- 316.19448858 178.1
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