CID 9649612

302918-22-5

Structural Information

Molecular Formula
C29H39N5O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)N(CC)CC
InChI
InChI=1S/C29H39N5O2/c1-4-7-8-9-10-11-20-36-26-18-14-24(15-19-26)27-21-28(32-31-27)29(35)33-30-22-23-12-16-25(17-13-23)34(5-2)6-3/h12-19,21-22H,4-11,20H2,1-3H3,(H,31,32)(H,33,35)/b30-22+
InChIKey
ZJRKKSZFGLXUKK-JBASAIQMSA-N
Compound name
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.31036 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.31764 224.5
[M+Na]+ 512.29958 225.6
[M-H]- 488.30308 231.6
[M+NH4]+ 507.34418 230.0
[M+K]+ 528.27352 219.8
[M+H-H2O]+ 472.30762 211.4
[M+HCOO]- 534.30856 246.5
[M+CH3COO]- 548.32421 251.1
[M+Na-2H]- 510.28503 222.7
[M]+ 489.30981 228.7
[M]- 489.31091 228.7
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.