CID 11675528

Chembl584075

Structural Information

Molecular Formula
C22H29N7
SMILES
CN(CC1=NC2=CC=CC=C2N1CCCN=C(N)N)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C22H29N7/c1-28(19-11-4-7-16-8-5-12-25-21(16)19)15-20-27-17-9-2-3-10-18(17)29(20)14-6-13-26-22(23)24/h2-3,5,8-10,12,19H,4,6-7,11,13-15H2,1H3,(H4,23,24,26)
InChIKey
XVBHJNYVOUOSQU-UHFFFAOYSA-N
Compound name
2-[3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

391.24844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25572 191.6
[M+Na]+ 414.23766 196.0
[M-H]- 390.24116 197.3
[M+NH4]+ 409.28226 202.0
[M+K]+ 430.21160 190.5
[M+H-H2O]+ 374.24570 179.8
[M+HCOO]- 436.24664 212.2
[M+CH3COO]- 450.26229 199.6
[M+Na-2H]- 412.22311 195.5
[M]+ 391.24789 190.3
[M]- 391.24899 190.3
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