CID 685995

7375-42-0

Structural Information

Molecular Formula
C17H24N2
SMILES
CCC1=C(/C(=C/C2=C(C(=C(N2)C)CC)C)/N=C1C)C
InChI
InChI=1S/C17H24N2/c1-7-14-10(3)16(18-12(14)5)9-17-11(4)15(8-2)13(6)19-17/h9,18H,7-8H2,1-6H3/b17-9-
InChIKey
QSPGBUOFJNDGBP-MFOYZWKCSA-N
Compound name
(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20122 163.2
[M+Na]+ 279.18316 173.9
[M-H]- 255.18666 167.4
[M+NH4]+ 274.22776 182.0
[M+K]+ 295.15710 168.2
[M+H-H2O]+ 239.19120 156.7
[M+HCOO]- 301.19214 184.3
[M+CH3COO]- 315.20779 199.5
[M+Na-2H]- 277.16861 160.0
[M]+ 256.19339 165.8
[M]- 256.19449 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe