CID 3072286

141388-87-6

Structural Information

Molecular Formula
C25H24N2O3
SMILES
COC[C@H]1CCCN1C(=O)C2=C3C4=CC=CC=C4CN3C(=O)C(=C2)C5=CC=CC=C5
InChI
InChI=1S/C25H24N2O3/c1-30-16-19-11-7-13-26(19)25(29)22-14-21(17-8-3-2-4-9-17)24(28)27-15-18-10-5-6-12-20(18)23(22)27/h2-6,8-10,12,14,19H,7,11,13,15-16H2,1H3/t19-/m1/s1
InChIKey
SVOWANOKVMLEHN-LJQANCHMSA-N
Compound name
1-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

400.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 197.9
[M+Na]+ 423.16790 205.3
[M-H]- 399.17140 207.2
[M+NH4]+ 418.21250 211.2
[M+K]+ 439.14184 199.0
[M+H-H2O]+ 383.17594 188.1
[M+HCOO]- 445.17688 215.0
[M+CH3COO]- 459.19253 207.3
[M+Na-2H]- 421.15335 195.3
[M]+ 400.17813 199.2
[M]- 400.17923 199.2
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