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

69
Patents

343.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 183.2
[M+Na]+ 366.16756 185.9
[M-H]- 342.17106 187.2
[M+NH4]+ 361.21216 194.6
[M+K]+ 382.14150 182.6
[M+H-H2O]+ 326.17560 174.0
[M+HCOO]- 388.17654 203.9
[M+CH3COO]- 402.19219 212.6
[M+Na-2H]- 364.15301 184.8
[M]+ 343.17779 185.7
[M]- 343.17889 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