CID 16728874

N-benzyl-n,4-dimethyl-5-nitro-6-oxazol-5-yl-pyrimidin-2-amine

Structural Information

Molecular Formula
C16H15N5O3
SMILES
CC1=C(C(=NC(=N1)N(C)CC2=CC=CC=C2)C3=CN=CO3)[N+](=O)[O-]
InChI
InChI=1S/C16H15N5O3/c1-11-15(21(22)23)14(13-8-17-10-24-13)19-16(18-11)20(2)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3
InChIKey
HEPNRDIHSIYKNC-UHFFFAOYSA-N
Compound name
N-benzyl-N,4-dimethyl-5-nitro-6-(1,3-oxazol-5-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12478 173.6
[M+Na]+ 348.10672 180.2
[M-H]- 324.11022 182.2
[M+NH4]+ 343.15132 182.9
[M+K]+ 364.08066 173.8
[M+H-H2O]+ 308.11476 166.8
[M+HCOO]- 370.11570 196.9
[M+CH3COO]- 384.13135 207.3
[M+Na-2H]- 346.09217 180.7
[M]+ 325.11695 174.9
[M]- 325.11805 174.9
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.