CID 3063453

Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C6H15N5S
SMILES
C(CCSC(=N)N)CN=C(N)N
InChI
InChI=1S/C6H15N5S/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H3,9,10)(H4,7,8,11)
InChIKey
KNNHSTUKWZDIQZ-UHFFFAOYSA-N
Compound name
4-(diaminomethylideneamino)butyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10481 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.11209 140.2
[M+Na]+ 212.09403 143.6
[M-H]- 188.09753 139.9
[M+NH4]+ 207.13863 158.1
[M+K]+ 228.06797 141.4
[M+H-H2O]+ 172.10207 132.5
[M+HCOO]- 234.10301 160.8
[M+CH3COO]- 248.11866 195.5
[M+Na-2H]- 210.07948 140.6
[M]+ 189.10426 135.2
[M]- 189.10536 135.2
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.