CID 476398

Benzamide, 2,2'-dithiobis[n-carbamoylmethyl

Structural Information

Molecular Formula
C18H18N4O4S2
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N)SSC2=CC=CC=C2C(=O)NCC(=O)N
InChI
InChI=1S/C18H18N4O4S2/c19-15(23)9-21-17(25)11-5-1-3-7-13(11)27-28-14-8-4-2-6-12(14)18(26)22-10-16(20)24/h1-8H,9-10H2,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26)
InChIKey
SAMJHEPIABTMRL-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-2-[[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.07693 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.08421 193.2
[M+Na]+ 441.06615 194.9
[M-H]- 417.06965 196.7
[M+NH4]+ 436.11075 200.9
[M+K]+ 457.04009 188.9
[M+H-H2O]+ 401.07419 183.7
[M+HCOO]- 463.07513 204.7
[M+CH3COO]- 477.09078 231.1
[M+Na-2H]- 439.05160 191.6
[M]+ 418.07638 192.5
[M]- 418.07748 192.5
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.