CID 6509994

Brn 5994244

Structural Information

Molecular Formula
C15H19N5O3
SMILES
C/C(=N/O)/C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C15H19N5O3/c1-8(20-21)13-11(22-2)5-9(6-12(13)23-3)4-10-7-18-15(17)19-14(10)16/h5-7,21H,4H2,1-3H3,(H4,16,17,18,19)/b20-8-
InChIKey
JUPVOSPAGBLVLQ-ZBKNUEDVSA-N
Compound name
(NZ)-N-[1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1488 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15608 175.1
[M+Na]+ 340.13802 185.9
[M+NH4]+ 335.18262 179.7
[M+K]+ 356.11196 181.5
[M-H]- 316.14152 178.1
[M+Na-2H]- 338.12347 180.5
[M]+ 317.14825 177.0
[M]- 317.14935 177.0
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.