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

literature stripe

Patent stripe

patents stripe