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 149.6
[M+Na]+ 251.09032 164.0
[M+NH4]+ 246.13492 157.6
[M+K]+ 267.06426 157.1
[M-H]- 227.09382 154.7
[M+Na-2H]- 249.07577 160.2
[M]+ 228.10055 153.1
[M]- 228.10165 153.1
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