CID 457366

Pt310

Structural Information

Molecular Formula
C28H22N6
SMILES
C1=CC=C2C=C(C=CC2=C1)CC3=C(N=C4C(=N3)C(=NC(=N4)N)N)CC5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C28H22N6/c29-26-25-27(34-28(30)33-26)32-24(16-18-10-12-20-6-2-4-8-22(20)14-18)23(31-25)15-17-9-11-19-5-1-3-7-21(19)13-17/h1-14H,15-16H2,(H4,29,30,32,33,34)
InChIKey
KXCMIKJNQNBAKQ-UHFFFAOYSA-N
Compound name
6,7-bis(naphthalen-2-ylmethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

442.19058 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19786 211.1
[M+Na]+ 465.17980 220.8
[M-H]- 441.18330 217.2
[M+NH4]+ 460.22440 215.9
[M+K]+ 481.15374 209.4
[M+H-H2O]+ 425.18784 196.3
[M+HCOO]- 487.18878 226.5
[M+CH3COO]- 501.20443 217.8
[M+Na-2H]- 463.16525 219.2
[M]+ 442.19003 210.2
[M]- 442.19113 210.2
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

No patent data available for this compound.