CID 62476819

2-chloro-n-cyclopropyl-n-methylquinazolin-4-amine

Structural Information

Molecular Formula
C12H12ClN3
SMILES
CN(C1CC1)C2=NC(=NC3=CC=CC=C32)Cl
InChI
InChI=1S/C12H12ClN3/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3
InChIKey
GFPWHMTYHXAPAU-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07198 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.079256 153.6
[M+Na]+ 256.061198 164.5
[M-H]- 232.064704 160.0
[M+NH4]+ 251.105803 166.3
[M+K]+ 272.035138 159.2
[M+H-H2O]+ 216.069240 145.0
[M+HCOO]- 278.070181 171.8
[M+CH3COO]- 292.085831 165.7
[M+Na-2H]- 254.046646 160.8
[M]+ 233.07143142 158.1
[M]- 233.07252858 158.1
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.