CID 41376

Impromidine

Structural Information

Molecular Formula
C14H23N7S
SMILES
CC1=C(N=CN1)CSCCNC(=NCCCC2=CN=CN2)N
InChI
InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
InChIKey
MURRAGMMNAYLNA-UHFFFAOYSA-N
Compound name
2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

209
References

1596
Patents

321.17355 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18083 170.5
[M+Na]+ 344.16277 176.8
[M-H]- 320.16627 171.3
[M+NH4]+ 339.20737 182.2
[M+K]+ 360.13671 171.0
[M+H-H2O]+ 304.17081 160.7
[M+HCOO]- 366.17175 188.2
[M+CH3COO]- 380.18740 208.3
[M+Na-2H]- 342.14822 170.8
[M]+ 321.17300 171.3
[M]- 321.17410 171.3
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