CID 3080117

1,3,5-triazin-2(1h)-one, 4-(4-morpholinyl)-6-propyl-, oxime

Structural Information

Molecular Formula
C10H17N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NO
InChI
InChI=1S/C10H17N5O2/c1-2-3-8-11-9(14-16)13-10(12-8)15-4-6-17-7-5-15/h16H,2-7H2,1H3,(H,11,12,13,14)
InChIKey
CUCSHQORSGHSKV-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.13823 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14551 157.3
[M+Na]+ 262.12745 163.3
[M-H]- 238.13095 157.3
[M+NH4]+ 257.17205 166.8
[M+K]+ 278.10139 160.9
[M+H-H2O]+ 222.13549 146.8
[M+HCOO]- 284.13643 172.2
[M+CH3COO]- 298.15208 191.2
[M+Na-2H]- 260.11290 163.4
[M]+ 239.13768 154.4
[M]- 239.13878 154.4
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

patents stripe