CID 84672

14855-76-6

Structural Information

Molecular Formula
C27H35N3
SMILES
CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C27H35N3/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5/h9-20H,8H2,1-7H3/q+2
InChIKey
ZRJYQNPSWSGCMS-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

171
References

7773
Patents

401.2831 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.29038 201.6
[M+Na]+ 424.27232 218.4
[M+NH4]+ 419.31692 211.9
[M+K]+ 440.24626 210.6
[M-H]- 400.27582 214.0
[M+Na-2H]- 422.25777 213.9
[M]+ 401.28255 208.5
[M]- 401.28365 208.5
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