CID 3077553

Brn 4825263

Structural Information

Molecular Formula
C19H17ClN4O3
SMILES
COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)CCl
InChI
InChI=1S/C19H17ClN4O3/c1-27-13-6-4-5-12(9-13)21-17-10-15(19(26)24-23-18(25)11-20)14-7-2-3-8-16(14)22-17/h2-10H,11H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKey
DBHIXIAMDBCAQX-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-2-(3-methoxyanilino)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0989 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10618 186.8
[M+Na]+ 407.08812 193.2
[M-H]- 383.09162 192.9
[M+NH4]+ 402.13272 197.8
[M+K]+ 423.06206 187.9
[M+H-H2O]+ 367.09616 177.6
[M+HCOO]- 429.09710 205.4
[M+CH3COO]- 443.11275 224.3
[M+Na-2H]- 405.07357 192.4
[M]+ 384.09835 189.9
[M]- 384.09945 189.9
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.