CID 90488972

Cranad-2

Structural Information

Molecular Formula
C23H25BF2N2O2
SMILES
[B-]1(OC(=C/C(=C/C=C2C=CC(=[N+](C)C)C=C2)/O1)/C=C/C3=CC=C(C=C3)N(C)C)(F)F
InChI
InChI=1S/C23H25BF2N2O2/c1-27(2)20-11-5-18(6-12-20)9-15-22-17-23(30-24(25,26)29-22)16-10-19-7-13-21(14-8-19)28(3)4/h5-17H,1-4H3
InChIKey
PVXQJYXODFZTBR-UHFFFAOYSA-N
Compound name
[4-[(2Z)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

410.19772 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20500 202.9
[M+Na]+ 433.18694 207.2
[M-H]- 409.19044 211.2
[M+NH4]+ 428.23154 212.0
[M+K]+ 449.16088 198.3
[M+H-H2O]+ 393.19498 195.8
[M+HCOO]- 455.19592 219.8
[M+CH3COO]- 469.21157 222.9
[M+Na-2H]- 431.17239 204.0
[M]+ 410.19717 196.3
[M]- 410.19827 196.3
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.