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]+ 268.14446 163.2
[M+Na]+ 290.12640 167.9
[M-H]- 266.12990 168.2
[M+NH4]+ 285.17100 169.2
[M+K]+ 306.10034 166.1
[M+H-H2O]+ 250.13444 147.8
[M+HCOO]- 312.13538 181.2
[M+CH3COO]- 326.15103 200.0
[M+Na-2H]- 288.11185 167.0
[M]+ 267.13663 167.8
[M]- 267.13773 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.