CID 11675821

Schembl4937984

Structural Information

Molecular Formula
C25H35N5
SMILES
CC(C)CCN(CC1=NC2=CC=CC=C2N1CCCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C25H35N5/c1-19(2)13-17-29(23-12-5-8-20-9-6-15-27-25(20)23)18-24-28-21-10-3-4-11-22(21)30(24)16-7-14-26/h3-4,6,9-11,15,19,23H,5,7-8,12-14,16-18,26H2,1-2H3
InChIKey
ZITGEMFBPHRZST-UHFFFAOYSA-N
Compound name
N-[[1-(3-aminopropyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

405.28925 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.29653 202.7
[M+Na]+ 428.27847 206.5
[M-H]- 404.28197 206.7
[M+NH4]+ 423.32307 212.6
[M+K]+ 444.25241 200.0
[M+H-H2O]+ 388.28651 190.6
[M+HCOO]- 450.28745 218.8
[M+CH3COO]- 464.30310 209.6
[M+Na-2H]- 426.26392 203.4
[M]+ 405.28870 203.1
[M]- 405.28980 203.1
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

patents stripe