CID 516586

92144-31-5

Structural Information

Molecular Formula
C16H15Cl2N5O2S
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H15Cl2N5O2S/c1-23(8-9-2-4-12(17)13(18)6-9)26(24,25)10-3-5-14-11(7-10)15(19)22-16(20)21-14/h2-7H,8H2,1H3,(H4,19,20,21,22)
InChIKey
BQRZARJCCOVNAL-UHFFFAOYSA-N
Compound name
2,4-diamino-N-[(3,4-dichlorophenyl)methyl]-N-methylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.03235 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.03963 190.1
[M+Na]+ 434.02157 200.5
[M-H]- 410.02507 195.7
[M+NH4]+ 429.06617 200.6
[M+K]+ 449.99551 193.6
[M+H-H2O]+ 394.02961 182.7
[M+HCOO]- 456.03055 197.5
[M+CH3COO]- 470.04620 228.6
[M+Na-2H]- 432.00702 193.6
[M]+ 411.03180 195.5
[M]- 411.03290 195.5
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.