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 164.8
[M+Na]+ 324.12197 173.1
[M-H]- 300.12547 170.9
[M+NH4]+ 319.16657 176.8
[M+K]+ 340.09591 165.1
[M+H-H2O]+ 284.13001 154.0
[M+HCOO]- 346.13095 187.7
[M+CH3COO]- 360.14660 175.4
[M+Na-2H]- 322.10742 174.3
[M]+ 301.13220 163.0
[M]- 301.13330 163.0
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