CID 363964

Nsc629501

Structural Information

Molecular Formula
C26H19N3S
SMILES
CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C=C2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C26H19N3S/c1-29(2)20-13-11-18(12-14-20)23(19(16-27)17-28)15-24-21-7-3-5-9-25(21)30-26-10-6-4-8-22(24)26/h3-15H,1-2H3
InChIKey
OQUZBDCNUWNKQE-UHFFFAOYSA-N
Compound name
2-[1-[4-(dimethylamino)phenyl]-2-thioxanthen-9-ylideneethylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12997 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13725 216.3
[M+Na]+ 428.11919 226.5
[M-H]- 404.12269 221.4
[M+NH4]+ 423.16379 224.8
[M+K]+ 444.09313 214.6
[M+H-H2O]+ 388.12723 199.7
[M+HCOO]- 450.12817 221.2
[M+CH3COO]- 464.14382 219.6
[M+Na-2H]- 426.10464 213.2
[M]+ 405.12942 207.8
[M]- 405.13052 207.8
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.