CID 14273279

N1-hexyl-n4-phenylbenzene-1,4-diamine

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCCCCNC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C18H24N2/c1-2-3-4-8-15-19-16-11-13-18(14-12-16)20-17-9-6-5-7-10-17/h5-7,9-14,19-20H,2-4,8,15H2,1H3
InChIKey
LISMVBJUACINFW-UHFFFAOYSA-N
Compound name
1-N-hexyl-4-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

268.19394 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 164.7
[M+Na]+ 291.18316 168.8
[M-H]- 267.18666 170.4
[M+NH4]+ 286.22776 180.3
[M+K]+ 307.15710 163.7
[M+H-H2O]+ 251.19120 156.0
[M+HCOO]- 313.19214 189.8
[M+CH3COO]- 327.20779 205.0
[M+Na-2H]- 289.16861 170.7
[M]+ 268.19339 164.1
[M]- 268.19449 164.1
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