CID 6728

Double green

Structural Information

Molecular Formula
C26H33N3
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C
InChI
InChI=1S/C26H33N3/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7/h8-19H,1-7H3/q+2
InChIKey
CKTYULMXIIQZGG-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

426
References

12445
Patents

387.26746 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.27474 197.0
[M+Na]+ 410.25668 214.1
[M+NH4]+ 405.30128 207.6
[M+K]+ 426.23062 206.5
[M-H]- 386.26018 209.5
[M+Na-2H]- 408.24213 209.7
[M]+ 387.26691 204.0
[M]- 387.26801 204.0
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

patents stripe