CID 314924

70583-39-0

Structural Information

Molecular Formula
C17H15N7
SMILES
C1=CC=C2C(=C1)C=CC=C2NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)
InChIKey
QVHFSGMRVQZGMC-UHFFFAOYSA-N
Compound name
6-[(naphthalen-1-ylamino)methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

317.1389 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14618 173.0
[M+Na]+ 340.12812 183.4
[M-H]- 316.13162 176.3
[M+NH4]+ 335.17272 182.7
[M+K]+ 356.10206 175.2
[M+H-H2O]+ 300.13616 161.7
[M+HCOO]- 362.13710 193.5
[M+CH3COO]- 376.15275 182.8
[M+Na-2H]- 338.11357 184.4
[M]+ 317.13835 171.9
[M]- 317.13945 171.9
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.