CID 319873

Nsc265524

Structural Information

Molecular Formula
C14H15N5O
SMILES
CN(C)CNC1=C2C(=NOC2=NC=N1)C3=CC=CC=C3
InChI
InChI=1S/C14H15N5O/c1-19(2)9-17-13-11-12(10-6-4-3-5-7-10)18-20-14(11)16-8-15-13/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKey
OTRPZBIZZZZQAR-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.12766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 160.2
[M+Na]+ 292.11688 169.5
[M-H]- 268.12038 166.6
[M+NH4]+ 287.16148 174.0
[M+K]+ 308.09082 166.8
[M+H-H2O]+ 252.12492 149.9
[M+HCOO]- 314.12586 184.4
[M+CH3COO]- 328.14151 172.6
[M+Na-2H]- 290.10233 169.0
[M]+ 269.12711 164.4
[M]- 269.12821 164.4
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.