CID 109300

Einecs 269-741-7

Structural Information

Molecular Formula
C26H40N2O2
SMILES
CC(C)CC(C)NC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)NC(C)CC(C)C
InChI
InChI=1S/C26H40N2O2/c1-19(2)17-21(5)27-23-7-11-25(12-8-23)29-15-16-30-26-13-9-24(10-14-26)28-22(6)18-20(3)4/h7-14,19-22,27-28H,15-18H2,1-6H3
InChIKey
JYSYQSXGESZDCA-UHFFFAOYSA-N
Compound name
N-(4-methylpentan-2-yl)-4-[2-[4-(4-methylpentan-2-ylamino)phenoxy]ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

412.309 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.31628 209.8
[M+Na]+ 435.29822 209.8
[M-H]- 411.30172 214.5
[M+NH4]+ 430.34282 219.1
[M+K]+ 451.27216 206.7
[M+H-H2O]+ 395.30626 199.7
[M+HCOO]- 457.30720 228.4
[M+CH3COO]- 471.32285 237.4
[M+Na-2H]- 433.28367 205.8
[M]+ 412.30845 212.7
[M]- 412.30955 212.7
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