CID 10754405

Benzenediamine, n-(1,3-dimethylbutyl)-n'-phenyl-

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(C)CC(C)NC1=CC=CC=C1NC2=CC=CC=C2
InChI
InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-11-7-8-12-18(17)20-16-9-5-4-6-10-16/h4-12,14-15,19-20H,13H2,1-3H3
InChIKey
QYMKLPYJMOMVNV-UHFFFAOYSA-N
Compound name
2-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

268.19394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 166.4
[M+Na]+ 291.18316 169.9
[M-H]- 267.18666 172.3
[M+NH4]+ 286.22776 181.8
[M+K]+ 307.15710 166.0
[M+H-H2O]+ 251.19120 158.0
[M+HCOO]- 313.19214 189.5
[M+CH3COO]- 327.20779 206.7
[M+Na-2H]- 289.16861 169.9
[M]+ 268.19339 164.6
[M]- 268.19449 164.6
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