CID 135489886

Nsc690960

Structural Information

Molecular Formula
C12H11N5
SMILES
C1=CC=C(C=C1)C2=CNC3=C2C(=N)N(C=N3)N
InChI
InChI=1S/C12H11N5/c13-11-10-9(8-4-2-1-3-5-8)6-15-12(10)16-7-17(11)14/h1-7,13,15H,14H2
InChIKey
RWDQEQFNGFWGCD-UHFFFAOYSA-N
Compound name
4-imino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10144 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10872 147.1
[M+Na]+ 248.09066 158.2
[M-H]- 224.09416 150.6
[M+NH4]+ 243.13526 163.0
[M+K]+ 264.06460 151.3
[M+H-H2O]+ 208.09870 138.5
[M+HCOO]- 270.09964 170.5
[M+CH3COO]- 284.11529 159.6
[M+Na-2H]- 246.07611 155.3
[M]+ 225.10089 144.7
[M]- 225.10199 144.7
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.