CID 464970

181883-51-2

Structural Information

Molecular Formula
C18H22N4O4
SMILES
C1=CC(=CC=C1C(=N)N)OC[C@H]([C@H](COC2=CC=C(C=C2)C(=N)N)O)O
InChI
InChI=1S/C18H22N4O4/c19-17(20)11-1-5-13(6-2-11)25-9-15(23)16(24)10-26-14-7-3-12(4-8-14)18(21)22/h1-8,15-16,23-24H,9-10H2,(H3,19,20)(H3,21,22)/t15-,16+
InChIKey
YWHQBFNXBMLONH-IYBDPMFKSA-N
Compound name
4-[(2R,3S)-4-(4-carbamimidoylphenoxy)-2,3-dihydroxybutoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1641 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 182.8
[M+Na]+ 381.15332 183.9
[M-H]- 357.15682 185.3
[M+NH4]+ 376.19792 191.3
[M+K]+ 397.12726 181.4
[M+H-H2O]+ 341.16136 173.7
[M+HCOO]- 403.16230 202.7
[M+CH3COO]- 417.17795 222.7
[M+Na-2H]- 379.13877 181.6
[M]+ 358.16355 177.4
[M]- 358.16465 177.4
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.