CID 102588

4708-24-1

Structural Information

Molecular Formula
C26H26N4O2S2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CSSCC(C(=O)NC3=CC4=CC=CC=C4C=C3)N)N
InChI
InChI=1S/C26H26N4O2S2/c27-23(25(31)29-21-11-9-17-5-1-3-7-19(17)13-21)15-33-34-16-24(28)26(32)30-22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-24H,15-16,27-28H2,(H,29,31)(H,30,32)
InChIKey
REEVAJUPLLWYBH-UHFFFAOYSA-N
Compound name
2-amino-3-[[2-amino-3-(naphthalen-2-ylamino)-3-oxopropyl]disulfanyl]-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

15
Patents

490.14972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15700 203.3
[M+Na]+ 513.13894 212.7
[M+NH4]+ 508.18354 210.3
[M+K]+ 529.11288 202.5
[M-H]- 489.14244 209.7
[M+Na-2H]- 511.12439 211.1
[M]+ 490.14917 207.1
[M]- 490.15027 207.1
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

patents stripe