CID 499589

Nsc687027

Structural Information

Molecular Formula
C16H17N3O
SMILES
CNC(=O)N1C(C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O/c1-17-16(20)19-15(13-10-6-3-7-11-13)14(18-19)12-8-4-2-5-9-12/h2-11,14-15,18H,1H3,(H,17,20)
InChIKey
YFNUMALNOCYIRY-UHFFFAOYSA-N
Compound name
N-methyl-3,4-diphenyldiazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 163.2
[M+Na]+ 290.126398 167.9
[M-H]- 266.129904 168.2
[M+NH4]+ 285.171003 169.2
[M+K]+ 306.100338 166.1
[M+H-H2O]+ 250.134440 147.8
[M+HCOO]- 312.135381 181.2
[M+CH3COO]- 326.151031 200.0
[M+Na-2H]- 288.111846 167.0
[M]+ 267.13663142 167.8
[M]- 267.13772858 167.8
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.