CID 9803135

T-2307 free base

Structural Information

Molecular Formula
C25H35N5O2
SMILES
C1CN(CCC1CCCOC2=CC=C(C=C2)C(=N)N)CCCOC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C25H35N5O2/c26-24(27)20-4-8-22(9-5-20)31-17-1-3-19-12-15-30(16-13-19)14-2-18-32-23-10-6-21(7-11-23)25(28)29/h4-11,19H,1-3,12-18H2,(H3,26,27)(H3,28,29)
InChIKey
KUNDLEJVAIBADY-UHFFFAOYSA-N
Compound name
4-[3-[1-[3-(4-carbamimidoylphenoxy)propyl]piperidin-4-yl]propoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

71
Patents

437.27908 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.28636 210.6
[M+Na]+ 460.26830 217.8
[M+NH4]+ 455.31290 215.0
[M+K]+ 476.24224 211.3
[M-H]- 436.27180 216.4
[M+Na-2H]- 458.25375 215.7
[M]+ 437.27853 212.6
[M]- 437.27963 212.6
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