CID 135606750

3-(3,5-dimethyl-1h-pyrazol-4-yl)-n'-[(e)-(2-methyl-1h-indol-3-yl)methylidene]propanehydrazide

Structural Information

Molecular Formula
C18H21N5O
SMILES
CC1=C(C(=NN1)C)CCC(=O)N/N=C/C2=C(NC3=CC=CC=C32)C
InChI
InChI=1S/C18H21N5O/c1-11-16(15-6-4-5-7-17(15)20-11)10-19-23-18(24)9-8-14-12(2)21-22-13(14)3/h4-7,10,20H,8-9H2,1-3H3,(H,21,22)(H,23,24)/b19-10+
InChIKey
HBQVINQUWDRMAP-VXLYETTFSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

323.17462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.181896 177.9
[M+Na]+ 346.163838 186.6
[M-H]- 322.167344 181.9
[M+NH4]+ 341.208443 192.0
[M+K]+ 362.137778 180.2
[M+H-H2O]+ 306.171880 169.0
[M+HCOO]- 368.172821 200.1
[M+CH3COO]- 382.188471 211.7
[M+Na-2H]- 344.149286 179.3
[M]+ 323.17407142 179.6
[M]- 323.17516858 179.6
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

No patent data available for this compound.