CID 388622

Nsc683631

Structural Information

Molecular Formula
C22H22N6
SMILES
CN(C)CCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H22N6/c1-28(2)14-13-23-21-20-22(25-15-24-21)27-19(17-11-7-4-8-12-17)18(26-20)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,23,24,25,27)
InChIKey
MODYTBOOFFTGQC-UHFFFAOYSA-N
Compound name
N-(6,7-diphenylpteridin-4-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.19058 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19786 191.2
[M+Na]+ 393.17980 197.9
[M-H]- 369.18330 197.2
[M+NH4]+ 388.22440 198.1
[M+K]+ 409.15374 190.6
[M+H-H2O]+ 353.18784 177.3
[M+HCOO]- 415.18878 210.5
[M+CH3COO]- 429.20443 199.5
[M+Na-2H]- 391.16525 199.3
[M]+ 370.19003 191.7
[M]- 370.19113 191.7
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.