CID 215680

Brn 0623813

Structural Information

Molecular Formula
C24H32N2
SMILES
C1CCN2CCN(CCC2C1)CCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2/c1-3-9-21(10-4-1)24(22-11-5-2-6-12-22)15-18-25-17-14-23-13-7-8-16-26(23)20-19-25/h1-6,9-12,23-24H,7-8,13-20H2
InChIKey
WCJLKLHEKKVIAF-UHFFFAOYSA-N
Compound name
3-(3,3-diphenylpropyl)-2,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.25656 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.26384 187.9
[M+Na]+ 371.24578 187.7
[M-H]- 347.24928 193.5
[M+NH4]+ 366.29038 197.1
[M+K]+ 387.21972 185.0
[M+H-H2O]+ 331.25382 176.9
[M+HCOO]- 393.25476 198.8
[M+CH3COO]- 407.27041 193.9
[M+Na-2H]- 369.23123 188.5
[M]+ 348.25601 177.2
[M]- 348.25711 177.2
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