CID 122198285

4-methylamino-4-dedimethylamino-anhydrotetracycline

Structural Information

Molecular Formula
C21H20N2O7
SMILES
CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)NC)O)O
InChI
InChI=1S/C21H20N2O7/c1-7-8-4-3-5-11(24)12(8)16(25)13-9(7)6-10-15(23-2)17(26)14(20(22)29)19(28)21(10,30)18(13)27/h3-5,10,15,23-25,28,30H,6H2,1-2H3,(H2,22,29)/t10-,15-,21-/m0/s1
InChIKey
LJLCFQKDCDGSSK-QYAMTVPHSA-N
Compound name
(4S,4aS,12aR)-1,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

412.12704 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13432 192.3
[M+Na]+ 435.11626 201.8
[M+NH4]+ 430.16086 197.9
[M+K]+ 451.09020 196.8
[M-H]- 411.11976 192.7
[M+Na-2H]- 433.10171 192.1
[M]+ 412.12649 193.4
[M]- 412.12759 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.