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 183.6
[M+Na]+ 361.22502 184.5
[M-H]- 337.22852 189.3
[M+NH4]+ 356.26962 192.6
[M+K]+ 377.19896 183.9
[M+H-H2O]+ 321.23306 172.8
[M+HCOO]- 383.23400 198.4
[M+CH3COO]- 397.24965 190.9
[M+Na-2H]- 359.21047 184.6
[M]+ 338.23525 177.6
[M]- 338.23635 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