CID 65719

Eseridine

Structural Information

Molecular Formula
C15H21N3O3
SMILES
C[C@@]12CCN(O[C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI
InChI=1S/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m0/s1
InChIKey
CNBHDDBNEKKMJH-ZFWWWQNUSA-N
Compound name
[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

450
Patents

291.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.165576 167.7
[M+Na]+ 314.147518 176.0
[M-H]- 290.151024 171.1
[M+NH4]+ 309.192123 185.4
[M+K]+ 330.121458 174.2
[M+H-H2O]+ 274.155560 160.5
[M+HCOO]- 336.156501 183.5
[M+CH3COO]- 350.172151 205.1
[M+Na-2H]- 312.132966 171.7
[M]+ 291.15775142 169.4
[M]- 291.15884858 169.4
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