CID 50501

Brn 1165473

Structural Information

Molecular Formula
C19H18ClNO3
SMILES
C1COCCN1CC2=C(C=CC3=C2C(=C(O3)C4=CC=CC=C4)Cl)O
InChI
InChI=1S/C19H18ClNO3/c20-18-17-14(12-21-8-10-23-11-9-21)15(22)6-7-16(17)24-19(18)13-4-2-1-3-5-13/h1-7,22H,8-12H2
InChIKey
LWFISPXLHNPTRZ-UHFFFAOYSA-N
Compound name
3-chloro-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09753 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10481 179.5
[M+Na]+ 366.08675 188.6
[M-H]- 342.09025 188.9
[M+NH4]+ 361.13135 191.8
[M+K]+ 382.06069 184.1
[M+H-H2O]+ 326.09479 171.3
[M+HCOO]- 388.09573 192.3
[M+CH3COO]- 402.11138 190.5
[M+Na-2H]- 364.07220 182.4
[M]+ 343.09698 182.4
[M]- 343.09808 182.4
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.