CID 14327551

4,6-dimethyl-n-nitroso-n-phenylpyrimidin-2-amine

Structural Information

Molecular Formula
C12H12N4O
SMILES
CC1=CC(=NC(=N1)N(C2=CC=CC=C2)N=O)C
InChI
InChI=1S/C12H12N4O/c1-9-8-10(2)14-12(13-9)16(15-17)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
RKFFXNQVOFPXSD-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.1011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 149.5
[M+Na]+ 251.09032 158.0
[M-H]- 227.09382 156.8
[M+NH4]+ 246.13492 165.5
[M+K]+ 267.06426 156.1
[M+H-H2O]+ 211.09836 139.7
[M+HCOO]- 273.09930 176.4
[M+CH3COO]- 287.11495 200.6
[M+Na-2H]- 249.07577 158.0
[M]+ 228.10055 152.1
[M]- 228.10165 152.1
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

patents stripe