CID 14499115

93799-18-9

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC(CNC(=O)C3=CC(NC3(C)C)(C)C)O
InChI
InChI=1S/C21H28N4O3/c1-13-23-17-9-7-6-8-15(17)19(28)25(13)12-14(26)11-22-18(27)16-10-20(2,3)24-21(16,4)5/h6-10,14,24,26H,11-12H2,1-5H3,(H,22,27)
InChIKey
KJDJZPXEKJENBI-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-(2-methyl-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

384.21616 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 191.8
[M+Na]+ 407.20538 200.1
[M-H]- 383.20888 193.8
[M+NH4]+ 402.24998 205.1
[M+K]+ 423.17932 194.8
[M+H-H2O]+ 367.21342 184.0
[M+HCOO]- 429.21436 206.0
[M+CH3COO]- 443.23001 220.2
[M+Na-2H]- 405.19083 192.6
[M]+ 384.21561 193.2
[M]- 384.21671 193.2
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.