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 175.6
[M+Na]+ 340.13802 183.5
[M-H]- 316.14152 179.9
[M+NH4]+ 335.18262 186.5
[M+K]+ 356.11196 180.2
[M+H-H2O]+ 300.14606 165.8
[M+HCOO]- 362.14700 198.6
[M+CH3COO]- 376.16265 216.6
[M+Na-2H]- 338.12347 177.8
[M]+ 317.14825 176.8
[M]- 317.14935 176.8
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.