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]+ 234.07926 153.6
[M+Na]+ 256.06120 164.5
[M-H]- 232.06470 160.0
[M+NH4]+ 251.10580 166.3
[M+K]+ 272.03514 159.2
[M+H-H2O]+ 216.06924 145.0
[M+HCOO]- 278.07018 171.8
[M+CH3COO]- 292.08583 165.7
[M+Na-2H]- 254.04665 160.8
[M]+ 233.07143 158.1
[M]- 233.07253 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.