CID 189711

111466-41-2

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C
InChI
InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20+/m0/s1
InChIKey
JRDUBBHIPPPSLP-OXJNMPFZSA-N
Compound name
(2S,12bS)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

69
References

109
Patents

339.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 183.5
[M+Na]+ 362.18389 191.7
[M-H]- 338.18739 187.5
[M+NH4]+ 357.22849 198.6
[M+K]+ 378.15783 186.2
[M+H-H2O]+ 322.19193 172.3
[M+HCOO]- 384.19287 192.2
[M+CH3COO]- 398.20852 192.2
[M+Na-2H]- 360.16934 185.3
[M]+ 339.19412 179.8
[M]- 339.19522 179.8
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