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

1
Patents

338.2358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 183.6
[M+Na]+ 361.225018 184.5
[M-H]- 337.228524 189.3
[M+NH4]+ 356.269623 192.6
[M+K]+ 377.198958 183.9
[M+H-H2O]+ 321.233060 172.8
[M+HCOO]- 383.234001 198.4
[M+CH3COO]- 397.249651 190.9
[M+Na-2H]- 359.210466 184.6
[M]+ 338.23525142 177.6
[M]- 338.23634858 177.6
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