CID 385203

Nsc676316

Structural Information

Molecular Formula
C18H25N5O
SMILES
C1C(CC1(CNC2=NC(=NC=C2N)N)CO)CCC3=CC=CC=C3
InChI
InChI=1S/C18H25N5O/c19-15-10-21-17(20)23-16(15)22-11-18(12-24)8-14(9-18)7-6-13-4-2-1-3-5-13/h1-5,10,14,24H,6-9,11-12,19H2,(H3,20,21,22,23)
InChIKey
FCILPHVBLCBJBN-UHFFFAOYSA-N
Compound name
[1-[[(2,5-diaminopyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

327.2059 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21318 183.6
[M+Na]+ 350.19512 187.0
[M-H]- 326.19862 187.6
[M+NH4]+ 345.23972 188.1
[M+K]+ 366.16906 184.8
[M+H-H2O]+ 310.20316 167.3
[M+HCOO]- 372.20410 202.2
[M+CH3COO]- 386.21975 216.7
[M+Na-2H]- 348.18057 186.4
[M]+ 327.20535 187.7
[M]- 327.20645 187.7
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.