CID 4076354

Schembl11353071

Structural Information

Molecular Formula
C13H10N4O
SMILES
CC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)N=O
InChI
InChI=1S/C13H10N4O/c1-9-3-5-10(6-4-9)11-12(16-18)17-8-2-7-14-13(17)15-11/h2-8H,1H3
InChIKey
KTUZPRDCOUCFFE-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.08546 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 150.7
[M+Na]+ 261.07468 162.8
[M-H]- 237.07818 157.0
[M+NH4]+ 256.11928 167.8
[M+K]+ 277.04862 158.3
[M+H-H2O]+ 221.08272 141.1
[M+HCOO]- 283.08366 176.4
[M+CH3COO]- 297.09931 164.6
[M+Na-2H]- 259.06013 159.3
[M]+ 238.08491 155.0
[M]- 238.08601 155.0
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.