CID 146294

Cicloprolol

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)OCCOCC2CC2)O
InChI
InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3
InChIKey
JNDJPKHYZWRRIS-UHFFFAOYSA-N
Compound name
1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1006
Patents

323.20966 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 176.8
[M+Na]+ 346.19888 186.7
[M+NH4]+ 341.24348 183.3
[M+K]+ 362.17282 182.7
[M-H]- 322.20238 185.4
[M+Na-2H]- 344.18433 183.4
[M]+ 323.20911 181.4
[M]- 323.21021 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe