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

12
Patents

381.09924 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.106516 190.3
[M+Na]+ 404.088458 197.9
[M-H]- 380.091964 198.8
[M+NH4]+ 399.133063 202.1
[M+K]+ 420.062398 187.0
[M+H-H2O]+ 364.096500 184.8
[M+HCOO]- 426.097441 213.7
[M+CH3COO]- 440.113091 224.1
[M+Na-2H]- 402.073906 197.9
[M]+ 381.09869142 192.3
[M]- 381.09978858 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

patents stripe