CID 30778

Stravidin

Structural Information

Molecular Formula
C17H29N3O3
SMILES
CCC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)O)NC
InChI
InChI=1S/C17H29N3O3/c1-4-11(2)15(19-3)16(21)20-14(17(22)23)10-7-12-5-8-13(18)9-6-12/h5-6,8-9,11-15,19H,4,7,10,18H2,1-3H3,(H,20,21)(H,22,23)
InChIKey
ATAHFPOIIFBWFN-UHFFFAOYSA-N
Compound name
4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

216
Patents

323.2209 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.22818 182.3
[M+Na]+ 346.21012 182.3
[M-H]- 322.21362 182.6
[M+NH4]+ 341.25472 194.0
[M+K]+ 362.18406 181.0
[M+H-H2O]+ 306.21816 174.5
[M+HCOO]- 368.21910 199.7
[M+CH3COO]- 382.23475 217.7
[M+Na-2H]- 344.19557 177.8
[M]+ 323.22035 178.5
[M]- 323.22145 178.5
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