CID 204341

Guanidine, n,n'''-(dithiodi-2,1-ethanediyl)bis(n-phenyl-, dihydrobromide

Structural Information

Molecular Formula
C18H24N6S2
SMILES
C1=CC=C(C=C1)N(CCSSCCN(C2=CC=CC=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C18H24N6S2/c19-17(20)23(15-7-3-1-4-8-15)11-13-25-26-14-12-24(18(21)22)16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,19,20)(H3,21,22)
InChIKey
HCEGVTMNORYRLY-UHFFFAOYSA-N
Compound name
1-[2-[2-(N-carbamimidoylanilino)ethyldisulfanyl]ethyl]-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15768 184.6
[M+Na]+ 411.13962 184.8
[M-H]- 387.14312 190.2
[M+NH4]+ 406.18422 194.4
[M+K]+ 427.11356 179.1
[M+H-H2O]+ 371.14766 174.1
[M+HCOO]- 433.14860 199.8
[M+CH3COO]- 447.16425 235.9
[M+Na-2H]- 409.12507 185.9
[M]+ 388.14985 181.4
[M]- 388.15095 181.4
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.