CID 14499116

93823-97-3

Structural Information

Molecular Formula
C21H30N4O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCCNC(=O)C3CC(NC3(C)C)(C)C
InChI
InChI=1S/C21H30N4O2/c1-14-23-17-10-7-6-9-15(17)19(27)25(14)12-8-11-22-18(26)16-13-20(2,3)24-21(16,4)5/h6-7,9-10,16,24H,8,11-13H2,1-5H3,(H,22,26)
InChIKey
VHNWHFLUIVDGSH-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.23688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.24416 189.8
[M+Na]+ 393.22610 198.1
[M-H]- 369.22960 192.5
[M+NH4]+ 388.27070 204.5
[M+K]+ 409.20004 192.3
[M+H-H2O]+ 353.23414 181.3
[M+HCOO]- 415.23508 204.9
[M+CH3COO]- 429.25073 219.7
[M+Na-2H]- 391.21155 190.7
[M]+ 370.23633 190.7
[M]- 370.23743 190.7
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.