CID 487237

[[(1s)-1-[(ne)-n-[(4-hydroxy-3-methoxy-phenyl)methylene]carbamimidoyl]-2-methyl-propyl]amino] pyridine-3-carboxylate

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CC(C)[C@@H](C(=N)N=CC1=CC(=C(C=C1)O)OC)NOC(=O)C2=CN=CC=C2
InChI
InChI=1S/C19H22N4O4/c1-12(2)17(23-27-19(25)14-5-4-8-21-11-14)18(20)22-10-13-6-7-15(24)16(9-13)26-3/h4-12,17,20,23-24H,1-3H3/t17-/m0/s1
InChIKey
GBDSKDUOKBWJQQ-KRWDZBQOSA-N
Compound name
[[(2S)-1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-imino-3-methylbutan-2-yl]amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1641 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.171376 188.0
[M+Na]+ 393.153318 190.9
[M-H]- 369.156824 193.0
[M+NH4]+ 388.197923 197.2
[M+K]+ 409.127258 189.0
[M+H-H2O]+ 353.161360 177.9
[M+HCOO]- 415.162301 209.8
[M+CH3COO]- 429.177951 225.0
[M+Na-2H]- 391.138766 189.0
[M]+ 370.16355142 188.8
[M]- 370.16464858 188.8
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.