CID 175473

73384-77-7

Structural Information

Molecular Formula
C19H23N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C
InChI
InChI=1S/C19H23N4OS/c1-5-23(6-2)15-9-7-14(8-10-15)20-21-19-22(3)17-12-11-16(24-4)13-18(17)25-19/h7-13H,5-6H2,1-4H3/q+1
InChIKey
GJRGPTNWRGHBIQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

355.15927 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16655 184.3
[M+Na]+ 378.14849 193.1
[M-H]- 354.15199 195.6
[M+NH4]+ 373.19309 200.6
[M+K]+ 394.12243 183.9
[M+H-H2O]+ 338.15653 177.3
[M+HCOO]- 400.15747 208.9
[M+CH3COO]- 414.17312 221.7
[M+Na-2H]- 376.13394 190.1
[M]+ 355.15872 192.3
[M]- 355.15982 192.3
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