CID 53366

75842-92-1

Structural Information

Molecular Formula
C22H30N2O
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN3CCCN(CC3)C
InChI
InChI=1S/C22H30N2O/c1-19-9-11-21(12-10-19)22(20-7-4-3-5-8-20)25-18-17-24-14-6-13-23(2)15-16-24/h3-5,7-12,22H,6,13-18H2,1-2H3
InChIKey
CTDVPTSYTXVMPY-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-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 183.7
[M+Na]+ 361.22502 185.5
[M-H]- 337.22852 189.8
[M+NH4]+ 356.26962 193.0
[M+K]+ 377.19896 185.0
[M+H-H2O]+ 321.23306 173.1
[M+HCOO]- 383.23400 198.4
[M+CH3COO]- 397.24965 191.3
[M+Na-2H]- 359.21047 184.0
[M]+ 338.23525 178.1
[M]- 338.23635 178.1
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.