CID 10513037

5-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

Structural Information

Molecular Formula
C10H7ClN4
SMILES
CC1=NN2C(=N1)C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C10H7ClN4/c1-6-12-9-7-4-2-3-5-8(7)13-10(11)15(9)14-6/h2-5H,1H3
InChIKey
OTLFXEHWBDUICO-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.03592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043196 144.4
[M+Na]+ 241.025138 158.8
[M-H]- 217.028644 145.4
[M+NH4]+ 236.069743 162.7
[M+K]+ 256.999078 152.6
[M+H-H2O]+ 201.033180 135.8
[M+HCOO]- 263.034121 160.2
[M+CH3COO]- 277.049771 157.8
[M+Na-2H]- 239.010586 153.2
[M]+ 218.03537142 149.3
[M]- 218.03646858 149.3
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

patents stripe