CID 5748927

Brn 5762299

Structural Information

Molecular Formula
C18H15N5
SMILES
C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C18H15N5/c1-3-7-13(8-4-1)20-17-16-15(11-12-19-16)22-18(23-17)21-14-9-5-2-6-10-14/h1-12,19H,(H2,20,21,22,23)
InChIKey
NGYSOAYQOLKCBD-UHFFFAOYSA-N
Compound name
2-N,4-N-diphenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

301.13275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14003 169.4
[M+Na]+ 324.12197 185.3
[M+NH4]+ 319.16657 177.7
[M+K]+ 340.09591 178.1
[M-H]- 300.12547 176.2
[M+Na-2H]- 322.10742 181.5
[M]+ 301.13220 173.6
[M]- 301.13330 173.6
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

patents stripe