CID 44154294

Einecs 278-797-1

Structural Information

Molecular Formula
C35H44N8O3
SMILES
CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)[N+](C)(C)C)OC)NC(=O)NC3=C(C=C(C(=C3)C)N=NC4=CC(=CC=C4)[N+](C)(C)C)OC
InChI
InChI=1S/C35H43N8O3/c1-23-17-31(33(45-9)21-29(23)40-38-25-13-11-15-27(19-25)42(3,4)5)36-35(44)37-32-18-24(2)30(22-34(32)46-10)41-39-26-14-12-16-28(20-26)43(6,7)8/h11-22H,1-10H3,(H-,36,37,38,39,44)/q+1/p+1
InChIKey
JPJOOGZUCZXWPY-UHFFFAOYSA-O
Compound name
[3-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[[3-(trimethylazaniumyl)phenyl]diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

624.35364 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.36092 254.4
[M+Na]+ 647.34286 255.6
[M-H]- 623.34636 273.1
[M+NH4]+ 642.38746 256.8
[M+K]+ 663.31680 244.2
[M+H-H2O]+ 607.35090 243.8
[M+HCOO]- 669.35184 283.8
[M+CH3COO]- 683.36749 285.2
[M+Na-2H]- 645.32831 264.1
[M]+ 624.35309 259.2
[M]- 624.35419 259.2
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.