CID 11069773

186450-73-7

Structural Information

Molecular Formula
C22H19N5O2S
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C4C=C(C=CC4=NS3)[N+](=O)[O-]
InChI
InChI=1S/C22H19N5O2S/c1-2-26(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)23-24-22-20-14-19(27(28)29)12-13-21(20)25-30-22/h3-14H,2,15H2,1H3
InChIKey
DDEDTHZGIZHZAT-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.12595 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13323 192.8
[M+Na]+ 440.11517 207.7
[M+NH4]+ 435.15977 201.4
[M+K]+ 456.08911 200.8
[M-H]- 416.11867 203.3
[M+Na-2H]- 438.10062 204.7
[M]+ 417.12540 198.3
[M]- 417.12650 198.3
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