CID 3055171

Robalzotan

Structural Information

Molecular Formula
C18H23FN2O2
SMILES
C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4
InChI
InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1
InChIKey
MQTUXRKNJYPMCG-CYBMUJFWSA-N
Compound name
(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

1620
Patents

318.17435 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18163 167.4
[M+Na]+ 341.16357 167.3
[M-H]- 317.16707 175.2
[M+NH4]+ 336.20817 167.5
[M+K]+ 357.13751 172.6
[M+H-H2O]+ 301.17161 147.5
[M+HCOO]- 363.17255 180.5
[M+CH3COO]- 377.18820 224.5
[M+Na-2H]- 339.14902 166.7
[M]+ 318.17380 177.9
[M]- 318.17490 177.9
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