CID 15945880

Lp-184

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CN(C(=O)N)O
InChI
InChI=1S/C16H20N2O4/c1-8-6-10-12(11(8)7-18(22)14(17)20)9(2)16(4-5-16)15(3,21)13(10)19/h6,21-22H,4-5,7H2,1-3H3,(H2,17,20)/t15-/m0/s1
InChIKey
VWMPVAZEBAKLFR-HNNXBMFYSA-N
Compound name
1-hydroxy-1-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

304.1423 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 163.8
[M+Na]+ 327.13152 174.6
[M-H]- 303.13502 170.3
[M+NH4]+ 322.17612 180.3
[M+K]+ 343.10546 170.8
[M+H-H2O]+ 287.13956 161.4
[M+HCOO]- 349.14050 183.0
[M+CH3COO]- 363.15615 211.5
[M+Na-2H]- 325.11697 166.2
[M]+ 304.14175 168.4
[M]- 304.14285 168.4
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