CID 92795

Rhombifoline

Structural Information

Molecular Formula
C15H20N2O
SMILES
C=CCCN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2
InChI
InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2/t12-,13+/m0/s1
InChIKey
ZVTFRRVBMAUIQW-QWHCGFSZSA-N
Compound name
(1R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

244.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 156.9
[M+Na]+ 267.146778 163.9
[M-H]- 243.150284 156.9
[M+NH4]+ 262.191383 174.3
[M+K]+ 283.120718 158.6
[M+H-H2O]+ 227.154820 148.5
[M+HCOO]- 289.155761 170.8
[M+CH3COO]- 303.171411 167.1
[M+Na-2H]- 265.132226 162.8
[M]+ 244.15701142 154.6
[M]- 244.15810858 154.6
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