CID 6026112

Schembl3751177

Structural Information

Molecular Formula
C37H43N4
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)/C=C/C=C(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C37H43N4/c1-38(2)32-20-12-28(13-21-32)36(29-14-22-33(23-15-29)39(3)4)10-9-11-37(30-16-24-34(25-17-30)40(5)6)31-18-26-35(27-19-31)41(7)8/h9-27H,1-8H3/q+1
InChIKey
IVLIWQHHXVBPPX-UHFFFAOYSA-N
Compound name
dimethyl-[4-[(2E)-1,5,5-tris[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

517
Patents

543.34875 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.35603 246.7
[M+Na]+ 566.33797 245.1
[M-H]- 542.34147 261.7
[M+NH4]+ 561.38257 251.0
[M+K]+ 582.31191 235.0
[M+H-H2O]+ 526.34601 235.1
[M+HCOO]- 588.34695 267.7
[M+CH3COO]- 602.36260 267.2
[M+Na-2H]- 564.32342 242.3
[M]+ 543.34820 244.7
[M]- 543.34930 244.7
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.