CID 135713870

Guanidine, 1-(4-hydroxy-6-methyl-2-pyrimidinyl)-3-(p-nitrophenyl)-

Structural Information

Molecular Formula
C12H12N6O3
SMILES
CC1=CC(=O)NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H12N6O3/c1-7-6-10(19)16-12(14-7)17-11(13)15-8-2-4-9(5-3-8)18(20)21/h2-6H,1H3,(H4,13,14,15,16,17,19)
InChIKey
NPIHUYPZBAYBCR-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-nitrophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09708 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10436 159.0
[M+Na]+ 311.08630 165.0
[M-H]- 287.08980 163.4
[M+NH4]+ 306.13090 169.6
[M+K]+ 327.06024 157.0
[M+H-H2O]+ 271.09434 153.8
[M+HCOO]- 333.09528 184.4
[M+CH3COO]- 347.11093 200.3
[M+Na-2H]- 309.07175 167.4
[M]+ 288.09653 154.2
[M]- 288.09763 154.2
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.