CID 11611147

Schembl4939124

Structural Information

Molecular Formula
C25H35N5
SMILES
CC(C)N(CC1=NC2=CC=CC=C2N1CCCN(C)C)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C25H35N5/c1-19(2)30(23-14-7-10-20-11-8-15-26-25(20)23)18-24-27-21-12-5-6-13-22(21)29(24)17-9-16-28(3)4/h5-6,8,11-13,15,19,23H,7,9-10,14,16-18H2,1-4H3
InChIKey
OQIOXYYMSVUMHC-UHFFFAOYSA-N
Compound name
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.28925 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.29653 203.5
[M+Na]+ 428.27847 207.3
[M-H]- 404.28197 209.3
[M+NH4]+ 423.32307 214.2
[M+K]+ 444.25241 202.4
[M+H-H2O]+ 388.28651 191.1
[M+HCOO]- 450.28745 220.6
[M+CH3COO]- 464.30310 211.1
[M+Na-2H]- 426.26392 204.3
[M]+ 405.28870 206.0
[M]- 405.28980 206.0
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