CID 14499113

93799-15-6

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCNC(=O)C3=CC(NC3(C)C)(C)C
InChI
InChI=1S/C21H28N4O2/c1-6-17-23-16-10-8-7-9-14(16)19(27)25(17)12-11-22-18(26)15-13-20(2,3)24-21(15,4)5/h7-10,13,24H,6,11-12H2,1-5H3,(H,22,26)
InChIKey
PRFZPXHMIARWHR-UHFFFAOYSA-N
Compound name
N-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.22122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 188.7
[M+Na]+ 391.21044 198.0
[M-H]- 367.21394 191.9
[M+NH4]+ 386.25504 203.6
[M+K]+ 407.18438 192.1
[M+H-H2O]+ 351.21848 180.2
[M+HCOO]- 413.21942 205.3
[M+CH3COO]- 427.23507 219.3
[M+Na-2H]- 389.19589 190.6
[M]+ 368.22067 191.0
[M]- 368.22177 191.0
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.