CID 93235

3-methyl-2-((1-methyl-2-phenyl-1h-indol-3-yl)azo)thiazolium chloride

Structural Information

Molecular Formula
C19H17N4S
SMILES
CN1C=CSC1=[N+]=NC2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4
InChI
InChI=1S/C19H17N4S/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14/h3-13H,1-2H3/q+1
InChIKey
MBSCGGXZUJHLJX-UHFFFAOYSA-N
Compound name
(1-methyl-2-phenylindol-3-yl)imino-(3-methyl-1,3-thiazol-2-ylidene)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1085
Patents

333.1174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12468 179.3
[M+Na]+ 356.10662 191.3
[M-H]- 332.11012 192.3
[M+NH4]+ 351.15122 196.7
[M+K]+ 372.08056 179.5
[M+H-H2O]+ 316.11466 173.0
[M+HCOO]- 378.11560 203.8
[M+CH3COO]- 392.13125 208.9
[M+Na-2H]- 354.09207 184.1
[M]+ 333.11685 184.0
[M]- 333.11795 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe