CID 137185891

(7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine)

Structural Information

Molecular Formula
C17H23N5O7
SMILES
C1=C[C@@H]([C@@H]([C@H]1NCC2=CN(C3=C2C(=O)NC(=N3)N)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16?/m0/s1
InChIKey
QQXQGKSPIMGUIZ-FSIZVHFJSA-N
Compound name
2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15976 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16704 188.9
[M+Na]+ 432.14898 195.7
[M-H]- 408.15248 191.7
[M+NH4]+ 427.19358 196.3
[M+K]+ 448.12292 192.1
[M+H-H2O]+ 392.15702 183.0
[M+HCOO]- 454.15796 201.5
[M+CH3COO]- 468.17361 219.2
[M+Na-2H]- 430.13443 184.5
[M]+ 409.15921 187.6
[M]- 409.16031 187.6
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

patents stripe