CID 5471219

Nsc709481

Structural Information

Molecular Formula
C22H14ClN3S
SMILES
C1=CC=C2C(=C1)N=C3N2C=C(N=C3/C=C/C4=CC=CS4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H14ClN3S/c23-16-9-7-15(8-10-16)20-14-26-21-6-2-1-5-18(21)25-22(26)19(24-20)12-11-17-4-3-13-27-17/h1-14H/b12-11+
InChIKey
CMBTXTXSKJVUAF-VAWYXSNFSA-N
Compound name
3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.0597 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06698 192.3
[M+Na]+ 410.04892 207.3
[M-H]- 386.05242 202.0
[M+NH4]+ 405.09352 207.6
[M+K]+ 426.02286 197.4
[M+H-H2O]+ 370.05696 183.7
[M+HCOO]- 432.05790 206.3
[M+CH3COO]- 446.07355 204.1
[M+Na-2H]- 408.03437 193.4
[M]+ 387.05915 200.7
[M]- 387.06025 200.7
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

No patent data available for this compound.