CID 112449

61792-45-8

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCCC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H24N2/c1-3-4-8-15(2)20(17-9-6-5-7-10-17)18-13-11-16(19)12-14-18/h5-7,9-15H,3-4,8,19H2,1-2H3
InChIKey
GTVCEXILOPOQQF-UHFFFAOYSA-N
Compound name
4-N-hexan-2-yl-4-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

268.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 167.0
[M+Na]+ 291.183158 170.9
[M-H]- 267.186664 173.8
[M+NH4]+ 286.227763 182.9
[M+K]+ 307.157098 167.5
[M+H-H2O]+ 251.191200 158.3
[M+HCOO]- 313.192141 190.9
[M+CH3COO]- 327.207791 208.6
[M+Na-2H]- 289.168606 169.8
[M]+ 268.19339142 166.1
[M]- 268.19448858 166.1
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