CID 16073867

Qxnrhiafeytsfd-uhfffaoysa-n

Structural Information

Molecular Formula
C19H16ClN5O2
SMILES
CN1C=C(C(=O)C2=C1C=CC(=C2)CN=[N+]=[N-])C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClN5O2/c1-25-11-16(19(27)22-9-12-2-5-14(20)6-3-12)18(26)15-8-13(10-23-24-21)4-7-17(15)25/h2-8,11H,9-10H2,1H3,(H,22,27)
InChIKey
QXNRHIAFEYTSFD-UHFFFAOYSA-N
Compound name
6-(azidomethyl)-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

381.09924 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10652 190.3
[M+Na]+ 404.08846 197.9
[M-H]- 380.09196 198.8
[M+NH4]+ 399.13306 202.1
[M+K]+ 420.06240 187.0
[M+H-H2O]+ 364.09650 184.8
[M+HCOO]- 426.09744 213.7
[M+CH3COO]- 440.11309 224.1
[M+Na-2H]- 402.07391 197.9
[M]+ 381.09869 192.3
[M]- 381.09979 192.3
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

No patent data available for this compound.