CID 135964618

(6-amino-5-methyl-2-methylsulfanyl-pyrimidin-4-yl)-phenyl-methanone oxime

Structural Information

Molecular Formula
C13H14N4OS
SMILES
CC1=C(N=C(N=C1N)SC)/C(=N/O)/C2=CC=CC=C2
InChI
InChI=1S/C13H14N4OS/c1-8-10(15-13(19-2)16-12(8)14)11(17-18)9-6-4-3-5-7-9/h3-7,18H,1-2H3,(H2,14,15,16)/b17-11+
InChIKey
BYMZNWKPSFCIME-GZTJUZNOSA-N
Compound name
(NE)-N-[(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08884 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09612 161.4
[M+Na]+ 297.07806 169.8
[M-H]- 273.08156 165.6
[M+NH4]+ 292.12266 174.9
[M+K]+ 313.05200 164.4
[M+H-H2O]+ 257.08610 152.6
[M+HCOO]- 319.08704 179.0
[M+CH3COO]- 333.10269 202.3
[M+Na-2H]- 295.06351 163.9
[M]+ 274.08829 162.0
[M]- 274.08939 162.0
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.