CID 135480745

2h-pyrrole-2-carboxamide, n-(3-amino-3-iminopropyl)-3,4-dihydro-5-(propylamino)-

Structural Information

Molecular Formula
C11H21N5O
SMILES
CCCN=C1CCC(N1)C(=O)NCCC(=N)N
InChI
InChI=1S/C11H21N5O/c1-2-6-14-10-4-3-8(16-10)11(17)15-7-5-9(12)13/h8H,2-7H2,1H3,(H3,12,13)(H,14,16)(H,15,17)
InChIKey
SGNIVHFWVZPSJE-UHFFFAOYSA-N
Compound name
N-(3-amino-3-iminopropyl)-5-propyliminopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.1746 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.18188 157.1
[M+Na]+ 262.16382 159.2
[M-H]- 238.16732 158.0
[M+NH4]+ 257.20842 173.2
[M+K]+ 278.13776 157.0
[M+H-H2O]+ 222.17186 148.7
[M+HCOO]- 284.17280 179.7
[M+CH3COO]- 298.18845 201.6
[M+Na-2H]- 260.14927 157.5
[M]+ 239.17405 150.2
[M]- 239.17515 150.2
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.