CID 391110

Nsc689728

Structural Information

Molecular Formula
C14H10N2S
SMILES
CC1=NC2=C(S1)C=CC3=C2C4=CC=CC=C4N3
InChI
InChI=1S/C14H10N2S/c1-8-15-14-12(17-8)7-6-11-13(14)9-4-2-3-5-10(9)16-11/h2-7,16H,1H3
InChIKey
MCUSJWXIZSPNNH-UHFFFAOYSA-N
Compound name
2-methyl-6H-[1,3]thiazolo[5,4-c]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05647 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06375 149.4
[M+Na]+ 261.04569 164.5
[M-H]- 237.04919 154.4
[M+NH4]+ 256.09029 172.4
[M+K]+ 277.01963 157.9
[M+H-H2O]+ 221.05373 144.5
[M+HCOO]- 283.05467 167.8
[M+CH3COO]- 297.07032 164.0
[M+Na-2H]- 259.03114 154.8
[M]+ 238.05592 155.6
[M]- 238.05702 155.6
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.