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]+ 327.181576 176.7
[M+Na]+ 349.163518 180.8
[M-H]- 325.167024 179.5
[M+NH4]+ 344.208123 187.2
[M+K]+ 365.137458 176.1
[M+H-H2O]+ 309.171560 167.2
[M+HCOO]- 371.172501 192.5
[M+CH3COO]- 385.188151 211.7
[M+Na-2H]- 347.148966 183.2
[M]+ 326.17375142 172.6
[M]- 326.17484858 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.