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

1
Patents

352.25146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.258736 187.0
[M+Na]+ 375.240678 187.2
[M-H]- 351.244184 192.7
[M+NH4]+ 370.285283 195.4
[M+K]+ 391.214618 187.0
[M+H-H2O]+ 335.248720 176.2
[M+HCOO]- 397.249661 200.5
[M+CH3COO]- 411.265311 193.8
[M+Na-2H]- 373.226126 186.5
[M]+ 352.25091142 180.8
[M]- 352.25200858 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