CID 51034

4-((m-isopentyloxybenzylidene)amino)-3-methylbenzophenone

Structural Information

Molecular Formula
C26H27NO2
SMILES
CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N=CC3=CC(=CC=C3)OCCC(C)C
InChI
InChI=1S/C26H27NO2/c1-19(2)14-15-29-24-11-7-8-21(17-24)18-27-25-13-12-23(16-20(25)3)26(28)22-9-5-4-6-10-22/h4-13,16-19H,14-15H2,1-3H3
InChIKey
OBVQLMCKEUEQEJ-UHFFFAOYSA-N
Compound name
[3-methyl-4-[[3-(3-methylbutoxy)phenyl]methylideneamino]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2042 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21148 197.7
[M+Na]+ 408.19342 202.3
[M-H]- 384.19692 207.8
[M+NH4]+ 403.23802 208.9
[M+K]+ 424.16736 197.1
[M+H-H2O]+ 368.20146 186.8
[M+HCOO]- 430.20240 220.3
[M+CH3COO]- 444.21805 228.0
[M+Na-2H]- 406.17887 197.8
[M]+ 385.20365 200.4
[M]- 385.20475 200.4
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

No patent data available for this compound.