PubChemLite - Copanlisib (C23H28N8O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5

InChI

InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)

InChIKey

MWYDSXOGIBMAET-UHFFFAOYSA-N

Compound name

2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	481.23064	214.1
[M+Na]+	503.21258	225.1
[M+NH4]+	498.25718	217.0
[M+K]+	519.18652	222.1
[M-H]-	479.21608	217.9
[M+Na-2H]-	501.19803	217.0
[M]+	480.22281	216.2
[M]-	480.22391	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.23064

214.1

[M+Na]+

503.21258

225.1

[M+NH4]+

498.25718

217.0

[M+K]+

519.18652

222.1

[M-H]-

479.21608

217.9

[M+Na-2H]-

501.19803

217.0

[M]+

480.22281

216.2

[M]-

480.22391

216.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Copanlisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe