CID 88850

21271-23-8

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CC(C)N(CCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C21H26N4O2/c1-15(2)24(16(3)4)12-13-27-20-19(17-8-6-5-7-9-17)21(26)25-11-10-22-14-18(25)23-20/h5-11,14-16H,12-13H2,1-4H3
InChIKey
DJMXYDACLUVFQX-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 190.4
[M+Na]+ 389.19479 196.6
[M-H]- 365.19829 194.9
[M+NH4]+ 384.23939 199.6
[M+K]+ 405.16873 192.6
[M+H-H2O]+ 349.20283 178.7
[M+HCOO]- 411.20377 207.9
[M+CH3COO]- 425.21942 225.3
[M+Na-2H]- 387.18024 193.5
[M]+ 366.20502 194.5
[M]- 366.20612 194.5
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.