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

7
Patents

218.03592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04320 144.4
[M+Na]+ 241.02514 158.8
[M-H]- 217.02864 145.4
[M+NH4]+ 236.06974 162.7
[M+K]+ 256.99908 152.6
[M+H-H2O]+ 201.03318 135.8
[M+HCOO]- 263.03412 160.2
[M+CH3COO]- 277.04977 157.8
[M+Na-2H]- 239.01059 153.2
[M]+ 218.03537 149.3
[M]- 218.03647 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