CID 3044286

Rmi 61213

Structural Information

Molecular Formula
C26H23N3O2
SMILES
C1CN(CCN1C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42)C(=O)NC5=CC=CC=C5
InChI
InChI=1S/C26H23N3O2/c30-25-21-11-5-4-8-19(21)18-24(22-12-6-7-13-23(22)25)28-14-16-29(17-15-28)26(31)27-20-9-2-1-3-10-20/h1-13,18H,14-17H2,(H,27,31)
InChIKey
PYFSXLPNNAIBDN-UHFFFAOYSA-N
Compound name
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18630 202.4
[M+Na]+ 432.16824 208.1
[M-H]- 408.17174 211.5
[M+NH4]+ 427.21284 210.7
[M+K]+ 448.14218 205.3
[M+H-H2O]+ 392.17628 191.7
[M+HCOO]- 454.17722 218.0
[M+CH3COO]- 468.19287 210.0
[M+Na-2H]- 430.15369 206.5
[M]+ 409.17847 197.1
[M]- 409.17957 197.1
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.