CID 477867

Tnc-dmf

Structural Information

Molecular Formula
C16H21N7O4
SMILES
CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N=CN(C)C
InChI
InChI=1S/C16H21N7O4/c1-21(2)7-19-13-8-4-23(16-12(26)11(25)9(5-24)27-16)15-10(8)14(17-6-18-15)22(3)20-13/h4,6-7,9,11-12,16,24-26H,5H2,1-3H3/t9-,11-,12-,16-/m1/s1
InChIKey
GUQUENAEHSCHGZ-UBEDBUPSSA-N
Compound name
N'-[2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-5-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1655 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17278 189.7
[M+Na]+ 398.15472 199.1
[M-H]- 374.15822 192.6
[M+NH4]+ 393.19932 199.0
[M+K]+ 414.12866 196.2
[M+H-H2O]+ 358.16276 180.8
[M+HCOO]- 420.16370 204.3
[M+CH3COO]- 434.17935 198.7
[M+Na-2H]- 396.14017 190.4
[M]+ 375.16495 194.8
[M]- 375.16605 194.8
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.