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
4
Annotation Hits

425
References

12456
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 198.9
[M+Na]+ 410.25668 201.2
[M-H]- 386.26018 211.5
[M+NH4]+ 405.30128 210.3
[M+K]+ 426.23062 186.8
[M+H-H2O]+ 370.26472 193.6
[M+HCOO]- 432.26566 220.7
[M+CH3COO]- 446.28131 225.7
[M+Na-2H]- 408.24213 204.0
[M]+ 387.26691 195.8
[M]- 387.26801 195.8
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