CID 6435725

Brn 2166788

Structural Information

Molecular Formula
C23H29NO4
SMILES
CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCC(CNC(C)(C)C)O
InChI
InChI=1S/C23H29NO4/c1-17(25)22(14-18-10-6-5-7-11-18)28-21-13-9-8-12-20(21)27-16-19(26)15-24-23(2,3)4/h5-14,19,24,26H,15-16H2,1-4H3/b22-14-
InChIKey
JHGZTFGLCONBSN-HMAPJEAMSA-N
Compound name
(Z)-3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 195.3
[M+Na]+ 406.19888 197.4
[M-H]- 382.20238 199.4
[M+NH4]+ 401.24348 205.3
[M+K]+ 422.17282 194.1
[M+H-H2O]+ 366.20692 186.7
[M+HCOO]- 428.20786 212.8
[M+CH3COO]- 442.22351 220.8
[M+Na-2H]- 404.18433 195.3
[M]+ 383.20911 197.1
[M]- 383.21021 197.1
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.