CID 14499111

93799-14-5

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCCNC(=O)C3=CC(NC3(C)C)(C)C
InChI
InChI=1S/C21H28N4O2/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/h6-7,9-10,13,24H,8,11-12H2,1-5H3,(H,22,26)
InChIKey
ONEMVPYDMHFNPY-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

368.22122 Da
Monoisotopic Mass

1.2
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

patents stripe