CID 382520

Nsc670129

Structural Information

Molecular Formula
C24H20N2O2
SMILES
C1=CC=C(C=C1)NC(=O)OCCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C24H20N2O2/c27-24(26-20-10-2-1-3-11-20)28-17-16-25-23-21-12-6-4-8-18(21)14-15-19-9-5-7-13-22(19)23/h1-15H,16-17H2,(H,26,27)
InChIKey
SOTOUCNBUATWGT-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15247 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15975 189.6
[M+Na]+ 391.14169 195.6
[M-H]- 367.14519 200.1
[M+NH4]+ 386.18629 202.9
[M+K]+ 407.11563 194.8
[M+H-H2O]+ 351.14973 182.2
[M+HCOO]- 413.15067 213.9
[M+CH3COO]- 427.16632 199.8
[M+Na-2H]- 389.12714 197.5
[M]+ 368.15192 189.6
[M]- 368.15302 189.6
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.