CID 92190

3081-01-4

Structural Information

Molecular Formula
C19H26N2
SMILES
CC(C)CCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C19H26N2/c1-15(2)9-10-16(3)20-18-11-13-19(14-12-18)21-17-7-5-4-6-8-17/h4-8,11-16,20-21H,9-10H2,1-3H3
InChIKey
UHJVLUYSDYOULM-UHFFFAOYSA-N
Compound name
4-N-(5-methylhexan-2-yl)-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1395
Patents

282.2096 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 171.0
[M+Na]+ 305.19882 174.0
[M-H]- 281.20232 176.6
[M+NH4]+ 300.24342 185.8
[M+K]+ 321.17276 169.8
[M+H-H2O]+ 265.20686 162.3
[M+HCOO]- 327.20780 193.7
[M+CH3COO]- 341.22345 209.7
[M+Na-2H]- 303.18427 173.9
[M]+ 282.20905 169.5
[M]- 282.21015 169.5
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