CID 11640059

Schembl4938704

Structural Information

Molecular Formula
C25H35N5
SMILES
CC(C)(CN1C2=CC=CC=C2N=C1CN(C)C3CCCC4=C3N=CC=C4)CN(C)C
InChI
InChI=1S/C25H35N5/c1-25(2,17-28(3)4)18-30-21-13-7-6-12-20(21)27-23(30)16-29(5)22-14-8-10-19-11-9-15-26-24(19)22/h6-7,9,11-13,15,22H,8,10,14,16-18H2,1-5H3
InChIKey
WGGZMASUPJMNOJ-UHFFFAOYSA-N
Compound name
N-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 204.5
[M+Na]+ 428.27847 209.1
[M-H]- 404.28197 210.7
[M+NH4]+ 423.32307 215.5
[M+K]+ 444.25241 204.3
[M+H-H2O]+ 388.28651 192.8
[M+HCOO]- 450.28745 221.0
[M+CH3COO]- 464.30310 238.3
[M+Na-2H]- 426.26392 207.3
[M]+ 405.28870 207.2
[M]- 405.28980 207.2
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