CID 5747164

Brn 5110369

Structural Information

Molecular Formula
C19H13N5
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=N2)NC4=CC=CC=C4)NC=C3C#N
InChI
InChI=1S/C19H13N5/c20-11-14-12-21-17-16(14)23-18(13-7-3-1-4-8-13)24-19(17)22-15-9-5-2-6-10-15/h1-10,12,21H,(H,22,23,24)
InChIKey
UIUUYKDNFDCCFV-UHFFFAOYSA-N
Compound name
4-anilino-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1171 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12438 176.5
[M+Na]+ 334.10632 187.6
[M-H]- 310.10982 179.2
[M+NH4]+ 329.15092 186.3
[M+K]+ 350.08026 176.8
[M+H-H2O]+ 294.11436 158.7
[M+HCOO]- 356.11530 193.3
[M+CH3COO]- 370.13095 184.7
[M+Na-2H]- 332.09177 181.6
[M]+ 311.11655 169.8
[M]- 311.11765 169.8
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.