CID 27473

15757-54-7

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CC1(N=C(C2N1C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C
InChI
InChI=1S/C18H17N3O2/c1-18(2)19-15(12-6-4-3-5-7-12)17-16(20(17)18)13-8-10-14(11-9-13)21(22)23/h3-11,16-17H,1-2H3
InChIKey
ZURRJBURTJNBNL-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 175.4
[M+Na]+ 330.12130 192.7
[M+NH4]+ 325.16590 185.9
[M+K]+ 346.09524 187.9
[M-H]- 306.12480 188.9
[M+Na-2H]- 328.10675 187.1
[M]+ 307.13153 183.1
[M]- 307.13263 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.