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]+ 597.290076 228.6
[M+Na]+ 619.272018 229.5
[M-H]- 595.275524 242.4
[M+NH4]+ 614.316623 218.0
[M+K]+ 635.245958 224.7
[M+H-H2O]+ 579.280060 216.4
[M+HCOO]- 641.281001 242.2
[M+CH3COO]- 655.296651 230.3
[M+Na-2H]- 617.257466 224.9
[M]+ 596.28225142 226.5
[M]- 596.28334858 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.