CID 14499117

93799-17-8

Structural Information

Molecular Formula
C22H32N4O2
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCCNC(=O)C3CC(NC3(C)C)(C)C
InChI
InChI=1S/C22H32N4O2/c1-6-18-24-17-11-8-7-10-15(17)20(28)26(18)13-9-12-23-19(27)16-14-21(2,3)25-22(16,4)5/h7-8,10-11,16,25H,6,9,12-14H2,1-5H3,(H,23,27)
InChIKey
IDZZJRYGIJSJJH-UHFFFAOYSA-N
Compound name
N-[3-(2-ethyl-4-oxoquinazolin-3-yl)propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.25253 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.259806 194.0
[M+Na]+ 407.241748 201.9
[M-H]- 383.245254 196.5
[M+NH4]+ 402.286353 208.1
[M+K]+ 423.215688 195.9
[M+H-H2O]+ 367.249790 185.3
[M+HCOO]- 429.250731 208.8
[M+CH3COO]- 443.266381 222.6
[M+Na-2H]- 405.227196 194.5
[M]+ 384.25198142 195.2
[M]- 384.25307858 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.