CID 9587957

Brn 0663731

Structural Information

Molecular Formula
C12H11N5O
SMILES
CN(C)/C=N/N1C(=NC2=CC=CC=C2C1=O)C#N
InChI
InChI=1S/C12H11N5O/c1-16(2)8-14-17-11(7-13)15-10-6-4-3-5-9(10)12(17)18/h3-6,8H,1-2H3/b14-8+
InChIKey
ISUWUUGBAVYFTF-RIYZIHGNSA-N
Compound name
N'-(2-cyano-4-oxoquinazolin-3-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10364 158.0
[M+Na]+ 264.08558 170.6
[M+NH4]+ 259.13018 161.8
[M+K]+ 280.05952 160.7
[M-H]- 240.08908 153.4
[M+Na-2H]- 262.07103 161.9
[M]+ 241.09581 157.5
[M]- 241.09691 157.5
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.