CID 9574763

Nsc671405

Structural Information

Molecular Formula
C21H16N6S
SMILES
C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2/N=C/C3=CC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N6S/c22-21-26(18-12-5-2-6-13-18)20(28)19(25-16-9-3-1-4-10-16)27(21)24-15-17-11-7-8-14-23-17/h1-15,22H/b22-21?,24-15+,25-19?
InChIKey
IWAGBPSMUGVYPU-PRSDJWIOSA-N
Compound name
2-imino-3-phenyl-5-phenylimino-1-[(E)-pyridin-2-ylmethylideneamino]imidazolidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11572 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12300 191.6
[M+Na]+ 407.10494 199.8
[M-H]- 383.10844 203.2
[M+NH4]+ 402.14954 201.5
[M+K]+ 423.07888 191.0
[M+H-H2O]+ 367.11298 179.6
[M+HCOO]- 429.11392 212.1
[M+CH3COO]- 443.12957 201.3
[M+Na-2H]- 405.09039 193.4
[M]+ 384.11517 190.0
[M]- 384.11627 190.0
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.