CID 11617982

Schembl4933453

Structural Information

Molecular Formula
C24H29N5
SMILES
CN(C)CC#CCN1C2=CC=CC=C2N=C1CN(C)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C24H29N5/c1-27(2)16-6-7-17-29-21-13-5-4-12-20(21)26-23(29)18-28(3)22-14-8-10-19-11-9-15-25-24(19)22/h4-5,9,11-13,15,22H,8,10,14,16-18H2,1-3H3
InChIKey
QFRHHIGNWWYNCW-UHFFFAOYSA-N
Compound name
N-[[1-[4-(dimethylamino)but-2-ynyl]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

3
Patents

387.2423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24958 196.9
[M+Na]+ 410.23152 204.5
[M-H]- 386.23502 198.9
[M+NH4]+ 405.27612 206.3
[M+K]+ 426.20546 195.0
[M+H-H2O]+ 370.23956 178.4
[M+HCOO]- 432.24050 209.3
[M+CH3COO]- 446.25615 203.0
[M+Na-2H]- 408.21697 197.3
[M]+ 387.24175 192.3
[M]- 387.24285 192.3
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