CID 462142

6-[[(5,6-dichloro-2-naphthyl)-methyl-amino]methyl]pteridine-2,4-diamine

Structural Information

Molecular Formula
C18H15Cl2N7
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC4=C(C=C3)C(=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H15Cl2N7/c1-27(11-3-4-12-9(6-11)2-5-13(19)14(12)20)8-10-7-23-17-15(24-10)16(21)25-18(22)26-17/h2-7H,8H2,1H3,(H4,21,22,23,25,26)
InChIKey
PNLBUAQZYJCLRO-UHFFFAOYSA-N
Compound name
6-[[(5,6-dichloronaphthalen-2-yl)-methylamino]methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.0766 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.08388 191.6
[M+Na]+ 422.06582 204.0
[M-H]- 398.06932 195.3
[M+NH4]+ 417.11042 200.5
[M+K]+ 438.03976 195.6
[M+H-H2O]+ 382.07386 180.7
[M+HCOO]- 444.07480 202.3
[M+CH3COO]- 458.09045 200.6
[M+Na-2H]- 420.05127 198.5
[M]+ 399.07605 196.4
[M]- 399.07715 196.4
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.