CID 457334

Chembl23560

Structural Information

Molecular Formula
C15H17N7O
SMILES
CC1=C(C=C(C=C1)OC)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C15H17N7O/c1-8-3-4-10(23-2)5-11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
InChIKey
QDLWXNKWIXCXRD-UHFFFAOYSA-N
Compound name
6-[(5-methoxy-2-methylanilino)methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.14944 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15672 175.5
[M+Na]+ 334.13866 185.2
[M-H]- 310.14216 178.1
[M+NH4]+ 329.18326 184.9
[M+K]+ 350.11260 179.0
[M+H-H2O]+ 294.14670 164.6
[M+HCOO]- 356.14764 195.8
[M+CH3COO]- 370.16329 185.2
[M+Na-2H]- 332.12411 182.5
[M]+ 311.14889 175.3
[M]- 311.14999 175.3
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

No patent data available for this compound.