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]+ 324.18190 177.9
[M+Na]+ 346.16384 186.6
[M-H]- 322.16734 181.9
[M+NH4]+ 341.20844 192.0
[M+K]+ 362.13778 180.2
[M+H-H2O]+ 306.17188 169.0
[M+HCOO]- 368.17282 200.1
[M+CH3COO]- 382.18847 211.7
[M+Na-2H]- 344.14929 179.3
[M]+ 323.17407 179.6
[M]- 323.17517 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.