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

5
Patents

268.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 167.0
[M+Na]+ 291.18316 170.9
[M-H]- 267.18666 173.8
[M+NH4]+ 286.22776 182.9
[M+K]+ 307.15710 167.5
[M+H-H2O]+ 251.19120 158.3
[M+HCOO]- 313.19214 190.9
[M+CH3COO]- 327.20779 208.6
[M+Na-2H]- 289.16861 169.8
[M]+ 268.19339 166.1
[M]- 268.19449 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