CID 53363

1h-1,4-diazepine, hexahydro-1-(2-(diphenylmethoxy)ethyl)-4-isopropyl-

Structural Information

Molecular Formula
C23H32N2O
SMILES
CC(C)N1CCCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H32N2O/c1-20(2)25-15-9-14-24(16-17-25)18-19-26-23(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23H,9,14-19H2,1-2H3
InChIKey
KGEYSWQJDBFKLU-UHFFFAOYSA-N
Compound name
1-(2-benzhydryloxyethyl)-4-propan-2-yl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.25146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.25874 187.0
[M+Na]+ 375.24068 187.2
[M-H]- 351.24418 192.7
[M+NH4]+ 370.28528 195.4
[M+K]+ 391.21462 187.0
[M+H-H2O]+ 335.24872 176.2
[M+HCOO]- 397.24966 200.5
[M+CH3COO]- 411.26531 193.8
[M+Na-2H]- 373.22613 186.5
[M]+ 352.25091 180.8
[M]- 352.25201 180.8
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