CID 53362

1h-1,4-diazepine, hexahydro-1-(3-(diphenylmethoxy)propyl)-4-methyl-

Structural Information

Molecular Formula
C22H30N2O
SMILES
CN1CCCN(CC1)CCCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O/c1-23-14-8-15-24(18-17-23)16-9-19-25-22(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,22H,8-9,14-19H2,1H3
InChIKey
JDEGBKIRVWQFHQ-UHFFFAOYSA-N
Compound name
1-(3-benzhydryloxypropyl)-4-methyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 187.3
[M+Na]+ 361.22502 198.5
[M+NH4]+ 356.26962 194.2
[M+K]+ 377.19896 191.0
[M-H]- 337.22852 192.2
[M+Na-2H]- 359.21047 195.4
[M]+ 338.23525 190.4
[M]- 338.23635 190.4
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

No patent data available for this compound.