CID 93335

N-(4-methylpentan-2-yl)-n-phenylbenzene-1,4-diamine

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(C)CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3
InChIKey
KZTCAXCBXSIQSS-UHFFFAOYSA-N
Compound name
4-N-(4-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4356
Patents

268.19394 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 167.4
[M+Na]+ 291.18316 171.0
[M-H]- 267.18666 174.2
[M+NH4]+ 286.22776 183.2
[M+K]+ 307.15710 168.2
[M+H-H2O]+ 251.19120 158.8
[M+HCOO]- 313.19214 190.3
[M+CH3COO]- 327.20779 209.5
[M+Na-2H]- 289.16861 169.0
[M]+ 268.19339 165.8
[M]- 268.19449 165.8
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