CID 11689964

Schembl4933466

Structural Information

Molecular Formula
C24H31N5O
SMILES
CN1CCOC(C1)CN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H31N5O/c1-27-13-14-30-19(15-27)16-29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-18-8-6-12-25-24(18)22/h3-4,6,8-10,12,19,22H,5,7,11,13-17H2,1-2H3
InChIKey
IQXQWHXZHHNBDM-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.25287 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.26015 201.2
[M+Na]+ 428.24209 205.9
[M-H]- 404.24559 207.7
[M+NH4]+ 423.28669 208.2
[M+K]+ 444.21603 200.3
[M+H-H2O]+ 388.25013 187.4
[M+HCOO]- 450.25107 212.8
[M+CH3COO]- 464.26672 208.0
[M+Na-2H]- 426.22754 201.7
[M]+ 405.25232 199.1
[M]- 405.25342 199.1
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