CID 138991022

2309447-00-3

Structural Information

Molecular Formula
C14H14ClN5
SMILES
CN1C=CN=C1CN(C)C2=NC3=CC=CC=C3C(=N2)Cl
InChI
InChI=1S/C14H14ClN5/c1-19-8-7-16-12(19)9-20(2)14-17-11-6-4-3-5-10(11)13(15)18-14/h3-8H,9H2,1-2H3
InChIKey
YORFFCDSKWGPRM-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10106 164.5
[M+Na]+ 310.08300 176.2
[M-H]- 286.08650 168.8
[M+NH4]+ 305.12760 179.0
[M+K]+ 326.05694 170.3
[M+H-H2O]+ 270.09104 154.0
[M+HCOO]- 332.09198 182.1
[M+CH3COO]- 346.10763 176.6
[M+Na-2H]- 308.06845 170.8
[M]+ 287.09323 170.2
[M]- 287.09433 170.2
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.