CID 3069585

Brn 5630430

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCOC1=NC=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C21H26N4O2/c1-2-27-21-19(12-22-14-23-21)20(26)24-16-10-17-8-9-18(11-16)25(17)13-15-6-4-3-5-7-15/h3-7,12,14,16-18H,2,8-11,13H2,1H3,(H,24,26)
InChIKey
QGWBYBOXURFPRS-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 188.1
[M+Na]+ 389.19479 191.9
[M-H]- 365.19829 192.1
[M+NH4]+ 384.23939 198.7
[M+K]+ 405.16873 186.6
[M+H-H2O]+ 349.20283 176.7
[M+HCOO]- 411.20377 202.5
[M+CH3COO]- 425.21942 195.7
[M+Na-2H]- 387.18024 189.4
[M]+ 366.20502 186.1
[M]- 366.20612 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.