CID 3013121

Chembl537516

Structural Information

Molecular Formula
C24H34N6
SMILES
CCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCC)N)N
InChI
InChI=1S/C24H34N6/c1-3-13-27-23(25)19-5-9-21(10-6-19)29-15-17-30(18-16-29)22-11-7-20(8-12-22)24(26)28-14-4-2/h5-12H,3-4,13-18H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKey
JHFCDIPTVHXIEW-UHFFFAOYSA-N
Compound name
N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

406.2845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.29178 203.1
[M+Na]+ 429.27372 203.9
[M-H]- 405.27722 210.0
[M+NH4]+ 424.31832 210.0
[M+K]+ 445.24766 198.3
[M+H-H2O]+ 389.28176 190.3
[M+HCOO]- 451.28270 222.7
[M+CH3COO]- 465.29835 240.3
[M+Na-2H]- 427.25917 202.4
[M]+ 406.28395 197.3
[M]- 406.28505 197.3
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