CID 6454800

64130-95-6

Structural Information

Molecular Formula
C18H23N4OS
SMILES
CC1(CC2=C(C(=O)C1)SC(=[N+]2C)N=NC3=CC=C(C=C3)N(C)C)C
InChI
InChI=1S/C18H23N4OS/c1-18(2)10-14-16(15(23)11-18)24-17(22(14)5)20-19-12-6-8-13(9-7-12)21(3)4/h6-9H,10-11H2,1-5H3/q+1
InChIKey
KBLALIKKFBSOEA-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylamino)phenyl]diazenyl]-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15927 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16655 177.6
[M+Na]+ 366.14849 185.8
[M-H]- 342.15199 188.4
[M+NH4]+ 361.19309 196.3
[M+K]+ 382.12243 177.3
[M+H-H2O]+ 326.15653 172.0
[M+HCOO]- 388.15747 198.5
[M+CH3COO]- 402.17312 219.5
[M+Na-2H]- 364.13394 182.3
[M]+ 343.15872 181.2
[M]- 343.15982 181.2
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.