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 153.9
[M+Na]+ 264.08558 164.7
[M-H]- 240.08908 157.2
[M+NH4]+ 259.13018 168.6
[M+K]+ 280.05952 161.2
[M+H-H2O]+ 224.09362 138.3
[M+HCOO]- 286.09456 174.8
[M+CH3COO]- 300.11021 213.4
[M+Na-2H]- 262.07103 160.9
[M]+ 241.09581 151.3
[M]- 241.09691 151.3
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.