CID 45054357

2-(4-cl-3-((((propylamino)carbonyl)amino)sulfonyl)bz)-1-methyl-1-phenylhydrazine

Structural Information

Molecular Formula
C18H21ClN4O4S
SMILES
CCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NN(C)C2=CC=CC=C2)Cl
InChI
InChI=1S/C18H21ClN4O4S/c1-3-11-20-18(25)22-28(26,27)16-12-13(9-10-15(16)19)17(24)21-23(2)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKey
BVWWYLKJFZGCPC-UHFFFAOYSA-N
Compound name
1-[2-chloro-5-[(N-methylanilino)carbamoyl]phenyl]sulfonyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10448 196.5
[M+Na]+ 447.08642 200.6
[M-H]- 423.08992 204.1
[M+NH4]+ 442.13102 206.7
[M+K]+ 463.06036 196.5
[M+H-H2O]+ 407.09446 188.3
[M+HCOO]- 469.09540 212.1
[M+CH3COO]- 483.11105 232.7
[M+Na-2H]- 445.07187 199.0
[M]+ 424.09665 201.4
[M]- 424.09775 201.4
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.