CID 68776494

Schembl3761842

Structural Information

Molecular Formula
C18H17N7O2
SMILES
C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4=CC5=C(C=C4)NC(=O)C5)N
InChI
InChI=1S/C18H17N7O2/c19-18-23-16-15(17(24-18)25-3-5-27-6-4-25)22-13(9-20-16)10-1-2-12-11(7-10)8-14(26)21-12/h1-2,7,9H,3-6,8H2,(H,21,26)(H2,19,20,23,24)
InChIKey
IUHGOMAZSUDRBF-UHFFFAOYSA-N
Compound name
5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.14438 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15166 188.3
[M+Na]+ 386.13360 196.5
[M-H]- 362.13710 190.9
[M+NH4]+ 381.17820 193.1
[M+K]+ 402.10754 189.2
[M+H-H2O]+ 346.14164 175.5
[M+HCOO]- 408.14258 197.2
[M+CH3COO]- 422.15823 195.1
[M+Na-2H]- 384.11905 190.6
[M]+ 363.14383 183.2
[M]- 363.14493 183.2
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