PubChemLite - Pd-0183812 (C28H35N5O2)

Structural Information

Molecular Formula

SMILES

C1CC2CC1CC2N3C(=O)C=CC4=CN=C(N=C43)NC5=CC=C(C=C5)N6CCC(CC6)CCCO

InChI

InChI=1S/C28H35N5O2/c34-15-1-2-19-11-13-32(14-12-19)24-8-6-23(7-9-24)30-28-29-18-22-5-10-26(35)33(27(22)31-28)25-17-20-3-4-21(25)16-20/h5-10,18-21,25,34H,1-4,11-17H2,(H,29,30,31)

InChIKey

PETCVZZPKYJZAU-UHFFFAOYSA-N

Compound name

8-(2-bicyclo[2.2.1]heptanyl)-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one

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]+	474.28636	218.3
[M+Na]+	496.26830	230.0
[M+NH4]+	491.31290	224.9
[M+K]+	512.24224	225.2
[M-H]-	472.27180	223.7
[M+Na-2H]-	494.25375	221.9
[M]+	473.27853	221.3
[M]-	473.27963	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.28636

218.3

[M+Na]+

496.26830

230.0

[M+NH4]+

491.31290

224.9

[M+K]+

512.24224

225.2

[M-H]-

472.27180

223.7

[M+Na-2H]-

494.25375

221.9

[M]+

473.27853

221.3

[M]-

473.27963

221.3

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

Pd-0183812

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe