CID 462141

Pteridine compound, 12

Structural Information

Molecular Formula
C17H14ClN7
SMILES
C1=CC2=C(C=CC(=C2)Cl)C=C1NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C17H14ClN7/c18-11-3-1-10-6-12(4-2-9(10)5-11)21-7-13-8-22-16-14(23-13)15(19)24-17(20)25-16/h1-6,8,21H,7H2,(H4,19,20,22,24,25)
InChIKey
UUTWGYHNRRQTDN-UHFFFAOYSA-N
Compound name
6-[[(6-chloronaphthalen-2-yl)amino]methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0999 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10718 180.6
[M+Na]+ 374.08912 192.5
[M-H]- 350.09262 183.8
[M+NH4]+ 369.13372 190.1
[M+K]+ 390.06306 183.3
[M+H-H2O]+ 334.09716 169.7
[M+HCOO]- 396.09810 196.4
[M+CH3COO]- 410.11375 190.2
[M+Na-2H]- 372.07457 190.5
[M]+ 351.09935 182.2
[M]- 351.10045 182.2
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

No patent data available for this compound.