CID 356275

Nsc611512

Structural Information

Molecular Formula
C24H22N4O2S2
SMILES
C1=CC=C(C(=C1)CN2C=CC=C2C(=O)N)SSC3=CC=CC=C3CN4C=CC=C4C(=O)N
InChI
InChI=1S/C24H22N4O2S2/c25-23(29)19-9-5-13-27(19)15-17-7-1-3-11-21(17)31-32-22-12-4-2-8-18(22)16-28-14-6-10-20(28)24(26)30/h1-14H,15-16H2,(H2,25,29)(H2,26,30)
InChIKey
JAUILRSUUXTOEP-UHFFFAOYSA-N
Compound name
1-[[2-[[2-[(2-carbamoylpyrrol-1-yl)methyl]phenyl]disulfanyl]phenyl]methyl]pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1184 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12568 207.8
[M+Na]+ 485.10762 216.1
[M-H]- 461.11112 218.4
[M+NH4]+ 480.15222 217.1
[M+K]+ 501.08156 207.9
[M+H-H2O]+ 445.11566 199.6
[M+HCOO]- 507.11660 221.6
[M+CH3COO]- 521.13225 216.4
[M+Na-2H]- 483.09307 203.1
[M]+ 462.11785 211.8
[M]- 462.11895 211.8
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.