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

134
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

literature stripe

Patent stripe

patents stripe