CID 9589305

1h-pyrrole-2-carboxaldehyde, 1-methyl-4-(5,6,7,8-tetrahydro-2-naphthalenyl)semicarbazone

Structural Information

Molecular Formula
C17H20N4O
SMILES
CN1C=CC=C1/C=N/NC(=O)NC2=CC3=C(CCCC3)C=C2
InChI
InChI=1S/C17H20N4O/c1-21-10-4-7-16(21)12-18-20-17(22)19-15-9-8-13-5-2-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H2,19,20,22)/b18-12+
InChIKey
XXPFFMNLWRDWPD-LDADJPATSA-N
Compound name
1-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 167.5
[M+Na]+ 319.15292 172.1
[M-H]- 295.15642 174.5
[M+NH4]+ 314.19752 183.7
[M+K]+ 335.12686 168.0
[M+H-H2O]+ 279.16096 158.3
[M+HCOO]- 341.16190 191.6
[M+CH3COO]- 355.17755 210.9
[M+Na-2H]- 317.13837 172.1
[M]+ 296.16315 164.7
[M]- 296.16425 164.7
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.