CID 373935

Nsc650963

Structural Information

Molecular Formula
C43H36N2O
SMILES
C1=CC=C(C=C1)C2C(N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5C(N5C(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C43H36N2O/c46-43(41-39(35-27-15-5-16-28-35)44(41)37(31-19-7-1-8-20-31)32-21-9-2-10-22-32)42-40(36-29-17-6-18-30-36)45(42)38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30,37-42H
InChIKey
VMXIORJTDBSGRC-UHFFFAOYSA-N
Compound name
bis(1-benzhydryl-3-phenylaziridin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.2828 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.29008 228.6
[M+Na]+ 619.27202 229.5
[M-H]- 595.27552 242.4
[M+NH4]+ 614.31662 218.0
[M+K]+ 635.24596 224.7
[M+H-H2O]+ 579.28006 216.4
[M+HCOO]- 641.28100 242.2
[M+CH3COO]- 655.29665 230.3
[M+Na-2H]- 617.25747 224.9
[M]+ 596.28225 226.5
[M]- 596.28335 226.5
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.