CID 5832789

34411-77-3

Structural Information

Molecular Formula
C39H45N4
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)/C=C/C=C/C=C(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C39H45N4/c1-40(2)34-22-14-30(15-23-34)38(31-16-24-35(25-17-31)41(3)4)12-10-9-11-13-39(32-18-26-36(27-19-32)42(5)6)33-20-28-37(29-21-33)43(7)8/h9-29H,1-8H3/q+1
InChIKey
ZNBPLCFXBNOWIW-UHFFFAOYSA-N
Compound name
dimethyl-[4-[(2E,4E)-1,7,7-tris[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

569.36444 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.37172 248.5
[M+Na]+ 592.35366 262.4
[M+NH4]+ 587.39826 255.3
[M+K]+ 608.32760 252.4
[M-H]- 568.35716 261.2
[M+Na-2H]- 590.33911 259.3
[M]+ 569.36389 254.4
[M]- 569.36499 254.4
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