CID 382518

Nsc670127

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CCCCNC(=O)OCCN=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C22H24N2O2/c1-2-3-14-24-22(25)26-16-15-23-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-13H,2-3,14-16H2,1H3,(H,24,25)
InChIKey
KSNRSZDXKRCVPJ-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 183.7
[M+Na]+ 371.17300 189.1
[M-H]- 347.17650 191.2
[M+NH4]+ 366.21760 198.4
[M+K]+ 387.14694 189.0
[M+H-H2O]+ 331.18104 176.9
[M+HCOO]- 393.18198 207.5
[M+CH3COO]- 407.19763 220.6
[M+Na-2H]- 369.15845 190.4
[M]+ 348.18323 185.6
[M]- 348.18433 185.6
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.