CID 3077462

Brn 4819375

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CC1=NC2=CC=CC=C2C=C1C(=O)NNC(C)(N3CCCC=C3)O
InChI
InChI=1S/C18H22N4O2/c1-13-15(12-14-8-4-5-9-16(14)19-13)17(23)20-21-18(2,24)22-10-6-3-7-11-22/h4-6,8-10,12,21,24H,3,7,11H2,1-2H3,(H,20,23)
InChIKey
QVYTZNJFBAFOCF-UHFFFAOYSA-N
Compound name
N'-[1-(3,4-dihydro-2H-pyridin-1-yl)-1-hydroxyethyl]-2-methylquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 176.7
[M+Na]+ 349.16352 180.8
[M-H]- 325.16702 179.5
[M+NH4]+ 344.20812 187.2
[M+K]+ 365.13746 176.1
[M+H-H2O]+ 309.17156 167.2
[M+HCOO]- 371.17250 192.5
[M+CH3COO]- 385.18815 211.7
[M+Na-2H]- 347.14897 183.2
[M]+ 326.17375 172.6
[M]- 326.17485 172.6
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.