CID 69082490

(4-(3-(bis(2-hydroxyethyl)amino)propoxy)phenyl)(phenyl)methanone

Structural Information

Molecular Formula
C20H25NO4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCN(CCO)CCO
InChI
InChI=1S/C20H25NO4/c22-14-12-21(13-15-23)11-4-16-25-19-9-7-18(8-10-19)20(24)17-5-2-1-3-6-17/h1-3,5-10,22-23H,4,11-16H2
InChIKey
SEBSTKRLGYWNQR-UHFFFAOYSA-N
Compound name
[4-[3-[bis(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

343.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 183.2
[M+Na]+ 366.167558 185.9
[M-H]- 342.171064 187.2
[M+NH4]+ 361.212163 194.6
[M+K]+ 382.141498 182.6
[M+H-H2O]+ 326.175600 174.0
[M+HCOO]- 388.176541 203.9
[M+CH3COO]- 402.192191 212.6
[M+Na-2H]- 364.153006 184.8
[M]+ 343.17779142 185.7
[M]- 343.17888858 185.7
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