CID 135497971

Chembl1902079

Structural Information

Molecular Formula
C19H24N6O4
SMILES
C1COCCN1C2=NC(=NC(=C2)N/N=C\C3=C(C=C(C=C3)O)O)N4CCOCC4
InChI
InChI=1S/C19H24N6O4/c26-15-2-1-14(16(27)11-15)13-20-23-17-12-18(24-3-7-28-8-4-24)22-19(21-17)25-5-9-29-10-6-25/h1-2,11-13,26-27H,3-10H2,(H,21,22,23)/b20-13-
InChIKey
VTKMKUNXUMLCNH-MOSHPQCFSA-N
Compound name
4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

400.1859 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19318 197.8
[M+Na]+ 423.17512 200.3
[M-H]- 399.17862 203.7
[M+NH4]+ 418.21972 197.8
[M+K]+ 439.14906 196.8
[M+H-H2O]+ 383.18316 183.7
[M+HCOO]- 445.18410 208.3
[M+CH3COO]- 459.19975 203.2
[M+Na-2H]- 421.16057 200.7
[M]+ 400.18535 191.3
[M]- 400.18645 191.3
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