CID 174351

83950-33-8

Structural Information

Molecular Formula
C28H36N3O2
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C28H36N3O2/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5/h6-15,20,32-33H,16-19H2,1-5H3/q+1
InChIKey
SAVITPPOOATXJV-UHFFFAOYSA-N
Compound name
[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

446.28076 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.28804 214.0
[M+Na]+ 469.26998 226.8
[M+NH4]+ 464.31458 221.1
[M+K]+ 485.24392 219.9
[M-H]- 445.27348 223.1
[M+Na-2H]- 467.25543 222.4
[M]+ 446.28021 218.6
[M]- 446.28131 218.6
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.