CID 242417

Nsc51024

Structural Information

Molecular Formula
C11H12N6O
SMILES
CC1=CC(=CC=C1)NC2=NC(=NC(=C2N=O)N)N
InChI
InChI=1S/C11H12N6O/c1-6-3-2-4-7(5-6)14-10-8(17-18)9(12)15-11(13)16-10/h2-5H,1H3,(H5,12,13,14,15,16)
InChIKey
UAJFZJGJAIBJIJ-UHFFFAOYSA-N
Compound name
4-N-(3-methylphenyl)-5-nitrosopyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

244.10725 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11453 153.8
[M+Na]+ 267.09647 162.9
[M-H]- 243.09997 159.7
[M+NH4]+ 262.14107 168.0
[M+K]+ 283.07041 159.2
[M+H-H2O]+ 227.10451 144.3
[M+HCOO]- 289.10545 181.3
[M+CH3COO]- 303.12110 206.1
[M+Na-2H]- 265.08192 161.0
[M]+ 244.10670 152.4
[M]- 244.10780 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.