CID 385260

Nsc676371

Structural Information

Molecular Formula
C19H25ClN4O2
SMILES
C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)CO)CO)CCC3=CC=CC=C3
InChI
InChI=1S/C19H25ClN4O2/c20-16-15(10-25)17(24-18(21)23-16)22-11-19(12-26)8-14(9-19)7-6-13-4-2-1-3-5-13/h1-5,14,25-26H,6-12H2,(H3,21,22,23,24)
InChIKey
BFEICJMVGSKDHP-UHFFFAOYSA-N
Compound name
[2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl]methylamino]pyrimidin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1666 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17388 190.1
[M+Na]+ 399.15582 195.1
[M-H]- 375.15932 193.2
[M+NH4]+ 394.20042 193.8
[M+K]+ 415.12976 191.2
[M+H-H2O]+ 359.16386 175.2
[M+HCOO]- 421.16480 202.5
[M+CH3COO]- 435.18045 219.5
[M+Na-2H]- 397.14127 191.7
[M]+ 376.16605 198.2
[M]- 376.16715 198.2
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.