CID 3072291

141389-01-7

Structural Information

Molecular Formula
C23H22N2O3S
SMILES
COC[C@H]1CCCN1C(=O)C2=C3C4=C(CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4
InChI
InChI=1S/C23H22N2O3S/c1-28-14-17-8-5-10-24(17)23(27)19-12-18(15-6-3-2-4-7-15)22(26)25-13-16-9-11-29-21(16)20(19)25/h2-4,6-7,9,11-12,17H,5,8,10,13-14H2,1H3/t17-/m1/s1
InChIKey
YJWHORHKXURDHA-QGZVFWFLSA-N
Compound name
9-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-7-phenyl-4H-thieno[2,3-a]indolizin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

406.1351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.142376 199.0
[M+Na]+ 429.124318 208.3
[M-H]- 405.127824 209.7
[M+NH4]+ 424.168923 215.4
[M+K]+ 445.098258 203.3
[M+H-H2O]+ 389.132360 192.9
[M+HCOO]- 451.133301 213.8
[M+CH3COO]- 465.148951 209.5
[M+Na-2H]- 427.109766 193.0
[M]+ 406.13455142 204.3
[M]- 406.13564858 204.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe