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-methylpyridin-4-yl]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]+ 392.22923 196.0
[M+Na]+ 414.21117 201.0
[M-H]- 390.21467 194.6
[M+NH4]+ 409.25577 203.1
[M+K]+ 430.18511 195.6
[M+H-H2O]+ 374.21921 187.4
[M+HCOO]- 436.22015 208.2
[M+CH3COO]- 450.23580 223.4
[M+Na-2H]- 412.19662 194.7
[M]+ 391.22140 193.0
[M]- 391.22250 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.