CID 382519

Nsc670128

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC(C)NC(=O)OCCN=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C21H22N2O2/c1-15(2)23-21(24)25-14-13-22-20-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)20/h3-12,15H,13-14H2,1-2H3,(H,23,24)
InChIKey
IECGKWRLGJIQFF-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 179.1
[M+Na]+ 357.15734 184.7
[M-H]- 333.16084 186.9
[M+NH4]+ 352.20194 194.3
[M+K]+ 373.13128 185.5
[M+H-H2O]+ 317.16538 172.8
[M+HCOO]- 379.16632 202.4
[M+CH3COO]- 393.18197 218.6
[M+Na-2H]- 355.14279 185.3
[M]+ 334.16757 180.2
[M]- 334.16867 180.2
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.