CID 3072288

141388-94-5

Structural Information

Molecular Formula
C24H23N3O2
SMILES
CN1CCN(CC1)C(=O)C2=C3C4=CC=CC=C4CN3C(=O)C(=C2)C5=CC=CC=C5
InChI
InChI=1S/C24H23N3O2/c1-25-11-13-26(14-12-25)23(28)21-15-20(17-7-3-2-4-8-17)24(29)27-16-18-9-5-6-10-19(18)22(21)27/h2-10,15H,11-14,16H2,1H3
InChIKey
IGIVWRBGCAEQHM-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

385.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.186296 195.5
[M+Na]+ 408.168238 202.7
[M-H]- 384.171744 202.5
[M+NH4]+ 403.212843 205.9
[M+K]+ 424.142178 195.2
[M+H-H2O]+ 368.176280 183.4
[M+HCOO]- 430.177221 208.8
[M+CH3COO]- 444.192871 203.7
[M+Na-2H]- 406.153686 195.1
[M]+ 385.17847142 193.0
[M]- 385.17956858 193.0
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