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

literature stripe

Patent stripe

patents stripe