CID 5272758

Schembl9804065

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CC1=NOC(=C1)CCCCCCCON(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C25H32N2O2/c1-22-19-25(29-26-22)17-11-3-2-4-12-18-28-27(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24/h5-10,13-16,19H,2-4,11-12,17-18,20-21H2,1H3
InChIKey
KTCPEFYLAAJLLO-UHFFFAOYSA-N
Compound name
N-benzyl-N-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.24637 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 200.4
[M+Na]+ 415.23559 203.3
[M-H]- 391.23909 209.1
[M+NH4]+ 410.28019 210.2
[M+K]+ 431.20953 199.6
[M+H-H2O]+ 375.24363 189.0
[M+HCOO]- 437.24457 222.6
[M+CH3COO]- 451.26022 226.3
[M+Na-2H]- 413.22104 201.7
[M]+ 392.24582 205.9
[M]- 392.24692 205.9
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