CID 473609

Ak.62

Structural Information

Molecular Formula
C24H30N6O
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCCN)N)C(=NCCCN)N
InChI
InChI=1S/C24H30N6O/c25-13-1-15-29-23(27)19-7-3-17(4-8-19)21-11-12-22(31-21)18-5-9-20(10-6-18)24(28)30-16-2-14-26/h3-12H,1-2,13-16,25-26H2,(H2,27,29)(H2,28,30)
InChIKey
LUKQEVHHMXIDPT-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-4-[5-[4-[N'-(3-aminopropyl)carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

418.2481 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25538 204.6
[M+Na]+ 441.23732 206.5
[M-H]- 417.24082 215.2
[M+NH4]+ 436.28192 213.2
[M+K]+ 457.21126 202.5
[M+H-H2O]+ 401.24536 193.2
[M+HCOO]- 463.24630 231.7
[M+CH3COO]- 477.26195 245.8
[M+Na-2H]- 439.22277 203.7
[M]+ 418.24755 201.6
[M]- 418.24865 201.6
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.