CID 51543

Ro 2-1996

Structural Information

Molecular Formula
C20H28N5O2
SMILES
CN(C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](C)(C)C)OC(=O)N(C)C
InChI
InChI=1S/C20H28N5O2/c1-23(2)16-10-13-18(19(14-16)27-20(26)24(3)4)22-21-15-8-11-17(12-9-15)25(5,6)7/h8-14H,1-7H3/q+1
InChIKey
VOFKAZLYVLNAQJ-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)-2-(dimethylcarbamoyloxy)phenyl]diazenyl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2243 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23158 188.8
[M+Na]+ 393.21352 193.0
[M-H]- 369.21702 202.3
[M+NH4]+ 388.25812 202.8
[M+K]+ 409.18746 188.7
[M+H-H2O]+ 353.22156 181.0
[M+HCOO]- 415.22250 219.0
[M+CH3COO]- 429.23815 236.9
[M+Na-2H]- 391.19897 195.7
[M]+ 370.22375 193.7
[M]- 370.22485 193.7
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.