CID 135770212

4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, (5-ethylhexahydro-5-(1-methylbutyl)-4,6-dioxo-2-pyrimidinyl)hydrazone, monohydrochloride

Structural Information

Molecular Formula
C19H29N5O4
SMILES
CCCC(C)C1(C(=O)NC(NC1=O)N/N=C/C2=C(C(=NC=C2CO)C)O)CC
InChI
InChI=1S/C19H29N5O4/c1-5-7-11(3)19(6-2)16(27)22-18(23-17(19)28)24-21-9-14-13(10-25)8-20-12(4)15(14)26/h8-9,11,18,24-26H,5-7,10H2,1-4H3,(H,22,27)(H,23,28)/b21-9+
InChIKey
ZPEWRXSGHBNEQF-ZVBGSRNCSA-N
Compound name
5-ethyl-2-[(2E)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-pentan-2-yl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.22195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.229226 196.0
[M+Na]+ 414.211168 201.0
[M-H]- 390.214674 194.6
[M+NH4]+ 409.255773 203.1
[M+K]+ 430.185108 195.6
[M+H-H2O]+ 374.219210 187.4
[M+HCOO]- 436.220151 208.2
[M+CH3COO]- 450.235801 223.4
[M+Na-2H]- 412.196616 194.7
[M]+ 391.22140142 193.0
[M]- 391.22249858 193.0
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.