CID 449095

Verpacamide a

Structural Information

Molecular Formula
C11H19N5O2
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N
InChI
InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1
InChIKey
ZRJHYOXNWCMGMW-YUMQZZPRSA-N
Compound name
2-[3-[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
Patents

253.15387 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16115 157.1
[M+Na]+ 276.14309 161.5
[M-H]- 252.14659 157.2
[M+NH4]+ 271.18769 172.8
[M+K]+ 292.11703 158.4
[M+H-H2O]+ 236.15113 149.3
[M+HCOO]- 298.15207 175.0
[M+CH3COO]- 312.16772 201.3
[M+Na-2H]- 274.12854 157.4
[M]+ 253.15332 149.7
[M]- 253.15442 149.7
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