CID 9587957

Methanimidamide, n'-(2-cyano-4-oxo-3(4h)-quinazolinyl)-n,n-dimethyl-

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]+ 242.103636 153.9
[M+Na]+ 264.085578 164.7
[M-H]- 240.089084 157.2
[M+NH4]+ 259.130183 168.6
[M+K]+ 280.059518 161.2
[M+H-H2O]+ 224.093620 138.3
[M+HCOO]- 286.094561 174.8
[M+CH3COO]- 300.110211 213.4
[M+Na-2H]- 262.071026 160.9
[M]+ 241.09581142 151.3
[M]- 241.09690858 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.