CID 33953

Smirnovine

Structural Information

Molecular Formula
C12H24N4O
SMILES
CC(=CCN=C(N)NCCCCNC(=O)C)C
InChI
InChI=1S/C12H24N4O/c1-10(2)6-9-16-12(13)15-8-5-4-7-14-11(3)17/h6H,4-5,7-9H2,1-3H3,(H,14,17)(H3,13,15,16)
InChIKey
ZJPBVAFZWDAVPW-UHFFFAOYSA-N
Compound name
N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.195 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.20228 162.9
[M+Na]+ 263.18422 165.0
[M-H]- 239.18772 163.2
[M+NH4]+ 258.22882 179.5
[M+K]+ 279.15816 164.0
[M+H-H2O]+ 223.19226 155.3
[M+HCOO]- 285.19320 187.4
[M+CH3COO]- 299.20885 206.5
[M+Na-2H]- 261.16967 163.2
[M]+ 240.19445 161.0
[M]- 240.19555 161.0
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

No patent data available for this compound.