CID 6018153

2,7-bis-naphthalen-1-ylmethylene-cycloheptanone

Structural Information

Molecular Formula
C29H24O
SMILES
C1C/C(=C\C2=CC=CC3=CC=CC=C23)/C(=O)/C(=C/C4=CC=CC5=CC=CC=C45)/CC1
InChI
InChI=1S/C29H24O/c30-29-25(19-23-15-7-13-21-9-3-5-17-27(21)23)11-1-2-12-26(29)20-24-16-8-14-22-10-4-6-18-28(22)24/h3-10,13-20H,1-2,11-12H2/b25-19+,26-20+
InChIKey
KGAYCWQUIINRDE-FQHZWJPGSA-N
Compound name
(2E,7E)-2,7-bis(naphthalen-1-ylmethylidene)cycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1827 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18998 200.2
[M+Na]+ 411.17192 206.0
[M-H]- 387.17542 211.3
[M+NH4]+ 406.21652 212.2
[M+K]+ 427.14586 200.7
[M+H-H2O]+ 371.17996 192.5
[M+HCOO]- 433.18090 217.2
[M+CH3COO]- 447.19655 208.6
[M+Na-2H]- 409.15737 202.3
[M]+ 388.18215 193.7
[M]- 388.18325 193.7
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.