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]+ 297.170976 167.5
[M+Na]+ 319.152918 172.1
[M-H]- 295.156424 174.5
[M+NH4]+ 314.197523 183.7
[M+K]+ 335.126858 168.0
[M+H-H2O]+ 279.160960 158.3
[M+HCOO]- 341.161901 191.6
[M+CH3COO]- 355.177551 210.9
[M+Na-2H]- 317.138366 172.1
[M]+ 296.16315142 164.7
[M]- 296.16424858 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.