CID 398148

6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H17N5O2
SMILES
C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N
InChI
InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
InChIKey
DGWXOLHKVGDQLN-UHFFFAOYSA-N
Compound name
6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

70
Patents

251.13823 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14551 155.6
[M+Na]+ 274.12745 161.3
[M-H]- 250.13095 159.8
[M+NH4]+ 269.17205 169.1
[M+K]+ 290.10139 158.9
[M+H-H2O]+ 234.13549 145.9
[M+HCOO]- 296.13643 178.0
[M+CH3COO]- 310.15208 202.8
[M+Na-2H]- 272.11290 160.1
[M]+ 251.13768 151.5
[M]- 251.13878 151.5
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