CID 14499112

93799-13-4

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCNC(=O)C3=CC(NC3(C)C)(C)C
InChI
InChI=1S/C20H26N4O2/c1-13-22-16-9-7-6-8-14(16)18(26)24(13)11-10-21-17(25)15-12-19(2,3)23-20(15,4)5/h6-9,12,23H,10-11H2,1-5H3,(H,21,25)
InChIKey
KSMQQSNILPULTL-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.20557 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 184.5
[M+Na]+ 377.19479 194.2
[M-H]- 353.19829 187.8
[M+NH4]+ 372.23939 199.9
[M+K]+ 393.16873 188.5
[M+H-H2O]+ 337.20283 176.1
[M+HCOO]- 399.20377 201.4
[M+CH3COO]- 413.21942 216.3
[M+Na-2H]- 375.18024 186.9
[M]+ 354.20502 186.4
[M]- 354.20612 186.4
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.