CID 3048645

Usaf a-6231

Structural Information

Molecular Formula
C11H18N6S
SMILES
C1CN(C=N1)CCNC(=S)NCCN2C=CN=C2
InChI
InChI=1S/C11H18N6S/c18-11(14-3-7-16-5-1-12-9-16)15-4-8-17-6-2-13-10-17/h1,5,9-10H,2-4,6-8H2,(H2,14,15,18)
InChIKey
QLHKEMAZWZHBLY-UHFFFAOYSA-N
Compound name
1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-3-(2-imidazol-1-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13138 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13866 158.8
[M+Na]+ 289.12060 164.9
[M-H]- 265.12410 160.6
[M+NH4]+ 284.16520 173.4
[M+K]+ 305.09454 161.6
[M+H-H2O]+ 249.12864 149.0
[M+HCOO]- 311.12958 175.6
[M+CH3COO]- 325.14523 196.8
[M+Na-2H]- 287.10605 159.3
[M]+ 266.13083 158.8
[M]- 266.13193 158.8
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.