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]+ 371.17138 188.0
[M+Na]+ 393.15332 190.9
[M-H]- 369.15682 193.0
[M+NH4]+ 388.19792 197.2
[M+K]+ 409.12726 189.0
[M+H-H2O]+ 353.16136 177.9
[M+HCOO]- 415.16230 209.8
[M+CH3COO]- 429.17795 225.0
[M+Na-2H]- 391.13877 189.0
[M]+ 370.16355 188.8
[M]- 370.16465 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.