CID 55044

83540-28-7

Structural Information

Molecular Formula

C₁₅H₂₃N₅O₄

SMILES

C=CCOCC1COC2(O1)CCN(CC2)C3=NC(=N)N(C(=C3)N)O

InChI

InChI=1S/C15H23N5O4/c1-2-7-22-9-11-10-23-15(24-11)3-5-19(6-4-15)13-8-12(16)20(21)14(17)18-13/h2,8,11,17,21H,1,3-7,9-10,16H2

InChIKey

YHAPSXCNPRCEGM-UHFFFAOYSA-N

Compound name

3-hydroxy-2-imino-6-[3-(prop-2-enoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.17502 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.182296	179.3
[M+Na]+	360.164238	185.1
[M-H]-	336.167744	183.4
[M+NH4]+	355.208843	188.5
[M+K]+	376.138178	182.7
[M+H-H2O]+	320.172280	169.8
[M+HCOO]-	382.173221	193.3
[M+CH3COO]-	396.188871	210.6
[M+Na-2H]-	358.149686	181.4
[M]+	337.17447142	175.6
[M]-	337.17556858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.