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]+ 386.18630 195.5
[M+Na]+ 408.16824 202.7
[M-H]- 384.17174 202.5
[M+NH4]+ 403.21284 205.9
[M+K]+ 424.14218 195.2
[M+H-H2O]+ 368.17628 183.4
[M+HCOO]- 430.17722 208.8
[M+CH3COO]- 444.19287 203.7
[M+Na-2H]- 406.15369 195.1
[M]+ 385.17847 193.0
[M]- 385.17957 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