CID 135666440

Einecs 266-154-8

Structural Information

Molecular Formula
C16H13N5S
SMILES
CN\1C2=CC=CC=C2S/C1=N\N=C\C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C16H13N5S/c1-21-13-8-4-5-9-14(13)22-16(21)20-17-10-15-18-11-6-2-3-7-12(11)19-15/h2-10H,1H3,(H,18,19)/b17-10+,20-16-
InChIKey
IPTQQJXPUGMIFH-GPCTYAPCSA-N
Compound name
(E)-N-[(E)-1H-benzimidazol-2-ylmethylideneamino]-3-methyl-1,3-benzothiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08917 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09645 167.2
[M+Na]+ 330.07839 181.1
[M-H]- 306.08189 175.6
[M+NH4]+ 325.12299 185.4
[M+K]+ 346.05233 174.1
[M+H-H2O]+ 290.08643 159.3
[M+HCOO]- 352.08737 190.4
[M+CH3COO]- 366.10302 180.7
[M+Na-2H]- 328.06384 173.3
[M]+ 307.08862 173.8
[M]- 307.08972 173.8
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.