CID 13101

793-24-8

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
InChIKey
ZZMVLMVFYMGSMY-UHFFFAOYSA-N
Compound name
4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

46
References

37542
Patents

268.19394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 166.4
[M+Na]+ 291.183158 169.9
[M-H]- 267.186664 172.3
[M+NH4]+ 286.227763 181.8
[M+K]+ 307.157098 166.0
[M+H-H2O]+ 251.191200 158.0
[M+HCOO]- 313.192141 189.5
[M+CH3COO]- 327.207791 206.7
[M+Na-2H]- 289.168606 169.9
[M]+ 268.19339142 164.6
[M]- 268.19448858 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

literature stripe

Patent stripe

patents stripe