CID 337417

77615-83-9

Structural Information

Molecular Formula
C23H26N4O
SMILES
C1CCN(C1)C2=NC3=CC=CC=C3N(C(=C2)N4CCOCC4)C5=CC=CC=C5
InChI
InChI=1S/C23H26N4O/c1-2-8-19(9-3-1)27-21-11-5-4-10-20(21)24-22(25-12-6-7-13-25)18-23(27)26-14-16-28-17-15-26/h1-5,8-11,18H,6-7,12-17H2
InChIKey
CYDULJITNVPDEH-UHFFFAOYSA-N
Compound name
4-(1-phenyl-4-pyrrolidin-1-yl-1,5-benzodiazepin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.21066 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21794 193.8
[M+Na]+ 397.19988 197.8
[M-H]- 373.20338 202.0
[M+NH4]+ 392.24448 200.0
[M+K]+ 413.17382 195.0
[M+H-H2O]+ 357.20792 180.0
[M+HCOO]- 419.20886 204.5
[M+CH3COO]- 433.22451 200.5
[M+Na-2H]- 395.18533 193.3
[M]+ 374.21011 185.2
[M]- 374.21121 185.2
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

No patent data available for this compound.