CID 14499114

93799-16-7

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCCNC(=O)C3=CC(NC3(C)C)(C)C
InChI
InChI=1S/C22H30N4O2/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/h7-8,10-11,14,25H,6,9,12-13H2,1-5H3,(H,23,27)
InChIKey
PZDUYAKJADSRGR-UHFFFAOYSA-N
Compound name
N-[3-(2-ethyl-4-oxoquinazolin-3-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.23688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.244156 193.0
[M+Na]+ 405.226098 201.8
[M-H]- 381.229604 195.9
[M+NH4]+ 400.270703 207.2
[M+K]+ 421.200038 195.6
[M+H-H2O]+ 365.234140 184.2
[M+HCOO]- 427.235081 209.2
[M+CH3COO]- 441.250731 222.2
[M+Na-2H]- 403.211546 194.4
[M]+ 382.23633142 195.6
[M]- 382.23742858 195.6
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.