CID 385200

Nsc676314

Structural Information

Molecular Formula
C19H23N5O
SMILES
C1C(CC1(CNC2=NC(=NC=C2C#N)N)CO)CCC3=CC=CC=C3
InChI
InChI=1S/C19H23N5O/c20-10-16-11-22-18(21)24-17(16)23-12-19(13-25)8-15(9-19)7-6-14-4-2-1-3-5-14/h1-5,11,15,25H,6-9,12-13H2,(H3,21,22,23,24)
InChIKey
WBDGIJDTEFRZGO-UHFFFAOYSA-N
Compound name
2-amino-4-[[1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

337.19025 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 181.9
[M+Na]+ 360.17947 187.4
[M-H]- 336.18297 184.4
[M+NH4]+ 355.22407 185.6
[M+K]+ 376.15341 185.1
[M+H-H2O]+ 320.18751 160.3
[M+HCOO]- 382.18845 196.3
[M+CH3COO]- 396.20410 224.6
[M+Na-2H]- 358.16492 184.2
[M]+ 337.18970 181.8
[M]- 337.19080 181.8
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.