CID 86424

141043-80-3

Structural Information

Molecular Formula
C16H26N4O3
SMILES
CC(C)N(C=NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)CO)C(C)C
InChI
InChI=1S/C16H26N4O3/c1-11(2)20(12(3)4)10-17-14-7-8-19(16(22)18-14)15-6-5-13(9-21)23-15/h7-8,10-13,15,21H,5-6,9H2,1-4H3/t13-,15+/m0/s1
InChIKey
VILGAGMUNYUTFS-DZGCQCFKSA-N
Compound name
N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

322.2005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20778 179.0
[M+Na]+ 345.18972 183.6
[M-H]- 321.19322 184.9
[M+NH4]+ 340.23432 191.0
[M+K]+ 361.16366 183.2
[M+H-H2O]+ 305.19776 169.6
[M+HCOO]- 367.19870 198.6
[M+CH3COO]- 381.21435 216.8
[M+Na-2H]- 343.17517 178.0
[M]+ 322.19995 180.9
[M]- 322.20105 180.9
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