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]+ 383.24416 193.0
[M+Na]+ 405.22610 201.8
[M-H]- 381.22960 195.9
[M+NH4]+ 400.27070 207.2
[M+K]+ 421.20004 195.6
[M+H-H2O]+ 365.23414 184.2
[M+HCOO]- 427.23508 209.2
[M+CH3COO]- 441.25073 222.2
[M+Na-2H]- 403.21155 194.4
[M]+ 382.23633 195.6
[M]- 382.23743 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.