CID 114748

Peramine

Structural Information

Molecular Formula
C12H17N5O
SMILES
CN1C(=CN2C=CC=C2C1=O)CCCN=C(N)N
InChI
InChI=1S/C12H17N5O/c1-16-9(4-2-6-15-12(13)14)8-17-7-3-5-10(17)11(16)18/h3,5,7-8H,2,4,6H2,1H3,(H4,13,14,15)
InChIKey
GQWWGRUJOCIUKI-UHFFFAOYSA-N
Compound name
2-[3-(2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

3030
Patents

247.14331 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.150586 154.9
[M+Na]+ 270.132528 164.2
[M-H]- 246.136034 158.2
[M+NH4]+ 265.177133 172.3
[M+K]+ 286.106468 160.5
[M+H-H2O]+ 230.140570 146.6
[M+HCOO]- 292.141511 180.9
[M+CH3COO]- 306.157161 203.3
[M+Na-2H]- 268.117976 159.7
[M]+ 247.14276142 156.1
[M]- 247.14385858 156.1
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