CID 459955

Ak.48s

Structural Information

Molecular Formula
C22H24N4O3
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCO)N)C(=NCCO)N
InChI
InChI=1S/C22H24N4O3/c23-21(25-11-13-27)17-5-1-15(2-6-17)19-9-10-20(29-19)16-3-7-18(8-4-16)22(24)26-12-14-28/h1-10,27-28H,11-14H2,(H2,23,25)(H2,24,26)
InChIKey
HDCGFWWPGUNVIK-UHFFFAOYSA-N
Compound name
N'-(2-hydroxyethyl)-4-[5-[4-[N'-(2-hydroxyethyl)carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

124
Patents

392.18484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 195.8
[M+Na]+ 415.17406 198.9
[M-H]- 391.17756 205.2
[M+NH4]+ 410.21866 205.1
[M+K]+ 431.14800 195.4
[M+H-H2O]+ 375.18210 185.7
[M+HCOO]- 437.18304 220.3
[M+CH3COO]- 451.19869 230.3
[M+Na-2H]- 413.15951 195.9
[M]+ 392.18429 194.4
[M]- 392.18539 194.4
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.